removing backup version for yong hun
authorjjenista <jjenista>
Fri, 8 Oct 2010 17:03:48 +0000 (17:03 +0000)
committerjjenista <jjenista>
Fri, 8 Oct 2010 17:03:48 +0000 (17:03 +0000)
32 files changed:
Robust/src/Benchmarks/oooJava/moldyn/backup/JGFMolDynBench.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup/MD.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup/MDRunner.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup/MyRandom.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup/Particle.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup2/JGFMolDynBench.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup2/JGFMolDynBenchSizeB.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup2/md.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/Barrier.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/DoubleWrapper.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/IntWrapper.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFInstrumentor.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBench.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeA.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeB.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeC.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFTimer.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/MDWorker.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/MDWrap.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup3/TournamentBarrier.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/Barrier.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/DoubleWrapper.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/IntWrapper.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFInstrumentor.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBench.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeA.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeB.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeC.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFTimer.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/MDWorker.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/MDWrap.java [deleted file]
Robust/src/Benchmarks/oooJava/moldyn/backup_working/TournamentBarrier.java [deleted file]

diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup/JGFMolDynBench.java b/Robust/src/Benchmarks/oooJava/moldyn/backup/JGFMolDynBench.java
deleted file mode 100644 (file)
index 4c02250..0000000
+++ /dev/null
@@ -1,53 +0,0 @@
-/**************************************************************************
-*                                                                         *
-*         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
-*                                                                         *
-*                            produced by                                  *
-*                                                                         *
-*                  Java Grande Benchmarking Project                       *
-*                                                                         *
-*                                at                                       *
-*                                                                         *
-*                Edinburgh Parallel Computing Centre                      *
-*                                                                         * 
-*                email: epcc-javagrande@epcc.ed.ac.uk                     *
-*                                                                         *
-*                                                                         *
-*      This version copyright (c) The University of Edinburgh, 2001.      *
-*                         All rights reserved.                            *
-*                                                                         *
-**************************************************************************/
-
-public class JGFMolDynBench {
-
-  public static void main(String args[]) {
-    int datasize = 8; //8,13
-    int group = 16;
-    MD md = new MD(datasize, group);
-    md.initialise();
-    int movemx = 50;
-
-    
-    for (int move=0;move<movemx;move++) {
-      md.domove();
-      md.init();
-      
-      for(int i = 0; i < md.group; ++i) {
-        MDRunner runner = new MDRunner(i, md);
-        runner.init();
-        runner.run();                
-        md.update(runner);
-
-      } 
-      md.sum();
-      md.scale();
-    }
-   
-    
-    
-    md.validate();
-    
-  }
-  
-}
-  
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup/MD.java b/Robust/src/Benchmarks/oooJava/moldyn/backup/MD.java
deleted file mode 100644 (file)
index e309d26..0000000
+++ /dev/null
@@ -1,343 +0,0 @@
-package Benchmarks.oooJava.moldyn;
-
-/** Banboo Version */
-
-/**************************************************************************
- * * Java Grande Forum Benchmark Suite - Version 2.0 * * produced by * * Java
- * Grande Benchmarking Project * * at * * Edinburgh Parallel Computing Centre *
- * * email: epcc-javagrande@epcc.ed.ac.uk * * Original version of this code by *
- * Dieter Heermann * converted to Java by * Lorna Smith (l.smith@epcc.ed.ac.uk)
- * * (see copyright notice below) * * This version copyright (c) The University
- * of Edinburgh, 2001. * All rights reserved. * *
- **************************************************************************/
-
-public class MD {
-  public int mm;
-  public int group;
-  public int mdsize;
-  public int move;
-  public int movemx;
-
-  public float side;
-  float hsq, hsq2, den, h, vaver, vaverh;
-  float tref, tscale;
-  int irep;
-  int istop;
-  int iprint;
-
-  public Particle[] one;
-  public float[][] sh_force;
-  // public float[] epot;
-  // public float[] vir;
-  // public float[] ek;
-  public float epot;
-  public float vir;
-  public float ek;
-  float ekin;
-
-  public int counter;
-
-  public void MD(int d, int g) {
-    this.mm = d;
-    this.group = g;
-    this.mdsize = this.mm * this.mm * this.mm * 4;
-    this.one = new Particle[this.mdsize];
-    this.sh_force = new float[3][this.mdsize];
-    this.move = 0;
-    this.movemx = 2;
-    this.den = (float) 0.83134;
-    this.h = (float) 0.064;
-    this.side = Math.powf((float) (this.mdsize / this.den), (float) 0.3333333);
-    this.hsq = this.h * this.h;
-    this.hsq2 = this.hsq * (float) 0.5;
-    this.vaver = (float) 1.13 * Math.sqrtf((float) this.tref / (float) 24.0);
-    this.vaverh = this.vaver * this.h;
-    this.irep = 10;
-    this.istop = 19;
-    // this.epot = (float)0.0;
-    // this.vir = (float)0.0;
-    this.tref = (float) 0.722;
-    this.tscale = (float) 16.0 / ((float) 1.0 * (float) this.mdsize - (float) 1.0);
-    this.iprint = 10;
-    this.counter = 0;
-
-    this.epot = (float) 0.0;// new float[this.group + 1];
-    this.vir = (float) 0.0;// new float[this.group + 1];
-    this.ek = (float) 0.0;// new float[this.group + 1];
-  }
-
-  public void init() {
-    /*
-     * for(int i = 0; i < this.group + 1; i++) { this.epot[i] = (float)0.0;
-     * this.vir[i] = (float)0.0; }
-     */
-    this.epot = (float) 0.0;
-    this.vir = (float) 0.0;
-    for (int j = 0; j < 3; j++) {
-      for (int i = 0; i < this.mdsize; i++) {
-        this.sh_force[j][i] = (float) 0.0;
-      }
-    }
-    this.counter = 0;
-  }
-
-  public void initialise() {
-
-    /* Particle Generation */
-    float xvelocity, yvelocity, zvelocity;
-    int ijk, lg, i, j, k;
-    float a = this.side / this.mm;
-    xvelocity = (float) 0.0;
-    yvelocity = (float) 0.0;
-    zvelocity = (float) 0.0;
-    // System.printString("here 1\n");
-    // System.printI(0xa0);
-    ijk = 0;
-    for (lg = 0; lg <= 1; lg++) {
-      for (i = 0; i < mm; i++) {
-        for (j = 0; j < mm; j++) {
-          for (k = 0; k < mm; k++) {
-            one[ijk] =
-                new Particle((float) (i * a + lg * a * (float) 0.5), (float) (j * a + lg * a
-                    * (float) 0.5), (k * a), xvelocity, yvelocity, zvelocity, this);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-    for (lg = 1; lg <= 2; lg++) {
-      for (i = 0; i < mm; i++) {
-        for (j = 0; j < mm; j++) {
-          for (k = 0; k < mm; k++) {
-            one[ijk] =
-                new Particle((float) (i * a + (2 - lg) * a * (float) 0.5),
-                    (float) (j * a + (lg - 1) * a * (float) 0.5),
-                    (float) (k * a + a * (float) 0.5), xvelocity, yvelocity, zvelocity, this);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-    // System.printString("here 2\n");
-    // System.printI(0xa1);
-    /* Initialise velocities */
-    int iseed;
-    float v1, v2, r;
-    iseed = 0;
-    v1 = (float) 0.0;
-    v2 = (float) 0.0;
-
-    MyRandom random = new MyRandom(iseed, v1, v2);
-    // System.printString("here 3\n");
-    // System.printI(0xa2);
-    for (i = 0; i < this.mdsize; i += 2) {
-      r = random.seed();
-      one[i].xvelocity = r * random.v1;
-      one[i + 1].xvelocity = r * random.v2;
-    }
-    // System.printString("here 4\n");
-    // System.printI(0xa3);
-    for (i = 0; i < this.mdsize; i += 2) {
-      r = random.seed();
-      one[i].yvelocity = r * random.v1;
-      one[i + 1].yvelocity = r * random.v2;
-    }
-    // System.printString("here 5\n");
-    // System.printI(0xa4);
-    for (i = 0; i < this.mdsize; i += 2) {
-      r = random.seed();
-      one[i].zvelocity = r * random.v1;
-      one[i + 1].zvelocity = r * random.v2;
-    }
-
-    /*
-     * for(i = 0; i < this.mdsize; i++) { System.printString("xvel: " +
-     * (int)(one[i].xvelocity*100000) + "; yvel: " +
-     * (int)(one[i].yvelocity*100000) + "; zvel: " +
-     * (int)(one[i].zvelocity*100000) + "\n"); }
-     */
-
-    // System.printString("here 6\n");
-    // System.printI(0xa5);
-    /* velocity scaling */
-    float sp, ts, sc;
-    ekin = (float) 0.0;
-    sp = (float) 0.0;
-    // System.printString("here 7\n");
-    // System.printI(0xa6);
-    for (i = 0; i < this.mdsize; i++) {
-      sp = sp + one[i].xvelocity;
-    }
-    sp = sp / this.mdsize;
-    // System.printString("here 8\n");
-    // System.printI(0xa7);
-    for (i = 0; i < this.mdsize; i++) {
-      one[i].xvelocity = one[i].xvelocity - sp;
-      ekin = ekin + one[i].xvelocity * one[i].xvelocity;
-    }
-    // System.printString("here 9\n");
-    // System.printI(0xa8);
-    sp = (float) 0.0;
-    for (i = 0; i < this.mdsize; i++) {
-      sp = sp + one[i].yvelocity;
-    }
-    sp = sp / this.mdsize;
-    // System.printString("here 10\n");
-    // System.printI(0xa9);
-    for (i = 0; i < this.mdsize; i++) {
-      one[i].yvelocity = one[i].yvelocity - sp;
-      ekin = ekin + one[i].yvelocity * one[i].yvelocity;
-    }
-    // System.printString("here 11\n");
-    // System.printI(0xa10);
-    sp = (float) 0.0;
-    for (i = 0; i < this.mdsize; i++) {
-      sp = sp + one[i].zvelocity;
-    }
-    sp = sp / this.mdsize;
-    // System.printString("here 12\n");
-    // System.printI(0xa11);
-    for (i = 0; i < this.mdsize; i++) {
-      one[i].zvelocity = one[i].zvelocity - sp;
-      ekin = ekin + one[i].zvelocity * one[i].zvelocity;
-    }
-    // System.printString("here 13\n");
-    // System.printI(0xa12);
-    ts = this.tscale * ekin;
-    sc = h * Math.sqrtf(this.tref / ts);
-
-    for (i = 0; i < this.mdsize; i++) {
-      one[i].xvelocity = one[i].xvelocity * sc;
-      one[i].yvelocity = one[i].yvelocity * sc;
-      one[i].zvelocity = one[i].zvelocity * sc;
-    }
-    // System.printString("here 14\n");
-    // System.printI(0xa13);
-  }
-
-  public void domove() {
-    for (int i = 0; i < this.mdsize; i++) {
-      one[i].domove(this.side, i);
-    }
-
-    /*
-     * for(int j=0;j<3;j++) { for (int i=0;i<mdsize;i++) { sh_force[j][i] =
-     * (float)0.0; } }
-     */
-
-    this.move++;
-  }
-
-  public boolean finish() {
-    if (this.move == this.movemx) {
-      return true;
-    }
-    return false;
-  }
-
-  public void update(MDRunner runner) {
-    float sum, vel, velt, count, sc;
-    float etot, temp, pres, rp;
-
-    /* update force arrays */
-    for (int k = 0; k < 3; k++) {
-      for (int i = 0; i < this.mdsize; i++) {
-        sh_force[k][i] += runner.sh_force2[k][i];
-      }
-    }
-
-    // runner.init();
-
-    // this.epot[runner.id + 1] = runner.epot;
-    // this.vir[runner.id + 1] = runner.vir;
-    this.epot += runner.epot;
-    this.vir += runner.vir;
-  }
-
-  public void sum() {
-    float sum = (float) 0.0;
-
-    for (int j = 0; j < 3; j++) {
-      for (int i = 0; i < this.mdsize; i++) {
-        sh_force[j][i] = sh_force[j][i] * hsq2;
-      }
-    }
-
-    sum = (float) 0.0;
-    for (int i = 0; i < this.mdsize; i++) {
-      sum = sum + this.one[i].mkekin(hsq2, i);
-    }
-    ekin = (float) (sum / hsq);
-  }
-
-  public void scale() {
-    float sum, vel, velt, count, sc;
-    float etot, temp, pres, rp;
-
-    // runner.epot = this.epot[0];
-    // runner.vir = this.vir[0];
-
-    vel = (float) 0.0;
-    count = (float) 0.0;
-
-    /* average velocity */
-    for (int i = 0; i < this.mdsize; i++) {
-      velt = this.one[i].velavg(vaverh, h);
-      if (velt > vaverh) {
-        count = count + (float) 1.0;
-      }
-      vel = vel + velt;
-    }
-    vel = (float) (vel / h);
-
-    /* temperature scale if required */
-    if ((this.move < this.istop) && (((this.move + 1) % this.irep) == 0)) {
-      sc = Math.sqrtf(this.tref / (this.tscale * ekin));
-      for (int i = 0; i < mdsize; i++) {
-        one[i].dscal(sc, 1);
-      }
-      ekin = (float) (this.tref / this.tscale);
-    }
-
-    /* sum to get full potential energy and virial */
-    if (((this.move + 1) % this.iprint) == 0) {
-      /*
-       * this.ek[runner.id+1] = (float)24.0*ekin; this.epot[runner.id+1] =
-       * (float)4.0*this.epot[runner.id+1]; etot = this.ek[runner.id+1] +
-       * this.epot[runner.id+1]; temp = this.tscale * ekin; pres = den *
-       * (float)16.0 * (ekin - this.vir[runner.id+1]) / mdsize; vel = vel /
-       * this.mdsize; rp = (count / this.mdsize) * (float)100.0;
-       * 
-       * if(this.counter == this.group) {
-       */
-      this.ek = (float) 24.0 * ekin;
-      // this.epot[0] = (float)4.0*this.epot[0];
-      // etot = this.ek[0] + this.epot[0];
-      // temp = this.tscale * ekin;
-      // pres = den * (float)16.0 * (ekin - this.vir[0]) / mdsize;
-      // vel = vel / this.mdsize;
-      // rp = (count / this.mdsize) * (float)100.0;
-      // System.printString("ek: " + (int)(this.ek*1000000) + " (" + this.move +
-      // ")\n");
-      // }
-    }
-  }
-
-  public void validate() {
-    float refval = (float) 1731.4306625334357;
-    float dev = Math.abs(this.ek - refval);
-    System.out.println("this.ek=" + this.ek);
-    if (dev > 1.0e-10) {
-      System.out.println("Validation failed\n");
-      // System.printString("Kinetic Energy = " + (int)(this.ek*1000000) + ";  "
-      // + (int)(refval*1000000) + "\n");
-      // System.printI(0xdddf);
-      // System.printI((int)(this.ek[0]*1000000));
-      // System.printI((int)(refval*1000000));
-      // System.printI((int)(ek*10000));
-      // System.printI((int)(refval*10000));
-    } else {
-      System.out.println("Validation success");
-    }
-  }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup/MDRunner.java b/Robust/src/Benchmarks/oooJava/moldyn/backup/MDRunner.java
deleted file mode 100644 (file)
index e01fbf9..0000000
+++ /dev/null
@@ -1,68 +0,0 @@
-public class MDRunner {
-    
-    public int id;  
-    int mm;
-    int mdsize;
-    public int group;
-    public int ilow, iupper;
-    //float l;
-    float rcoff;
-    //rcoffs,
-    float side/*sideh,*/;
-    //float rand;
-    public float [][] sh_force2;
-    public float epot;
-    public float vir;
-    public float ek;
-    //int npartm,tint;
-    //int iprint = 10;
-    MD md;
-    Particle[] one;
-
-    public MDRunner(int id, MD m) {
-       this.id=id;
-       this.md = m;
-       this.mm=this.md.mm;
-       //this.l = 50e-10;
-       this.mdsize = this.md.mdsize;
-       this.group = this.md.group;
-       this.side = this.md.side;
-       this.rcoff = this.mm/(float)4.0;
-//     this.rcoffs = this.rcoff * this.rcoff;
-       //this.sideh = this.side * 0.5;
-       //this.npartm = this.mdsize - 1;
-       //this.iprint = 10;
-       int slice = (this.mdsize - 1) / this.group + 1; 
-       this.ilow = this.id * slice; 
-       this.iupper = (this.id+1) * slice; 
-       if (this.iupper > this.mdsize )  {
-           iupper = this.mdsize; 
-       }
-       sh_force2 = new float[3][this.mdsize];
-       
-       this.one = this.md.one;
-       this.epot = (float)0.0;//this.md.epot[id+1];
-       this.vir = (float)0.0;//this.md.vir[id+1];
-       this.ek = (float)0.0;//this.md.ek[id+1];
-    }
-    
-    public void init() {
-       this.epot = (float)0.0;
-       this.vir = (float)0.0;
-       for(int i = 0; i < this.mdsize; i++) {
-           for(int j = 0; j < 3; j++) {
-               this.sh_force2[j][i] = (float)0.0;
-           }
-       }
-    }
-
-    public void run() {
-       /* compute forces */
-       //System.printString("here 1: " + this.id + "\n");
-       for (int i = this.ilow; i < this.iupper; i++) {
-           one[i].force(side,rcoff,mdsize,i,this); 
-       }
-       //System.printString("here 2: " + this.id + "\n");
-    }
-
-}
\ No newline at end of file
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup/MyRandom.java b/Robust/src/Benchmarks/oooJava/moldyn/backup/MyRandom.java
deleted file mode 100644 (file)
index 3fdb7e4..0000000
+++ /dev/null
@@ -1,61 +0,0 @@
-public class MyRandom {
-
-    public int iseed;
-    public float v1,v2;
-
-    public MyRandom(int iseed, float v1, float v2) {
-       this.iseed = iseed;
-       this.v1 = v1;
-       this.v2 = v2;
-    }
-
-    public float update() {
-
-       float rand;
-       float scale= (float)4.656612875e-10;
-
-       int is1,is2,iss2;
-       int imult= 16807;
-       int imod = 2147483647;
-
-       if (iseed<=0) { 
-           iseed = 1; 
-           }
-
-       is2 = iseed % 32768;
-       is1 = (iseed-is2)/32768;
-       iss2 = is2 * imult;
-       is2 = iss2 % 32768;
-       is1 = (is1 * imult+(iss2-is2) / 32768) % (65536);
-
-       iseed = (is1 * 32768 + is2) % imod;
-
-       rand = scale * iseed;
-
-       return rand;
-
-    }
-
-    public float seed() {
-
-       float s,u1,u2,r;
-       s = (float)1.0;
-       //do {
-           //System.printI(0xb1);
-           u1 = update();
-           u2 = update();
-
-       //System.printI(0xb2);
-           v1 = (float)2.0 * u1 - (float)1.0;
-           v2 = (float)2.0 * u2 - (float)1.0;
-           s = v1*v1 + v2*v2;
-       //System.printI(0xb3);
-       //} while (s >= (float)1.0);
-        s = s - (int)s;
-       //System.printI(0xb4);
-       r = Math.sqrtf((float)(-2.0*Math.logf(s))/(float)s);
-       //System.printI(0xb5);
-       return r;
-
-    }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup/Particle.java b/Robust/src/Benchmarks/oooJava/moldyn/backup/Particle.java
deleted file mode 100644 (file)
index 5376afa..0000000
+++ /dev/null
@@ -1,139 +0,0 @@
-public class Particle {
-
-    public float xcoord, ycoord, zcoord;
-    public float xvelocity,yvelocity,zvelocity;
-    int id;
-    //float [][] sh_force;
-    //float [][][] sh_force2;
-    MD md;
-
-    public Particle(float xcoord, float ycoord, float zcoord, float xvelocity,
-           float yvelocity,float zvelocity,/*float [][] sh_force, 
-           float [][][] sh_force2, int id, */MD m) {
-
-       this.xcoord = xcoord; 
-       this.ycoord = ycoord; 
-       this.zcoord = zcoord;
-       this.xvelocity = xvelocity;
-       this.yvelocity = yvelocity;
-       this.zvelocity = zvelocity;
-       //this.sh_force = sh_force;
-       //this.sh_force2 = sh_force2;
-       this.id=id;
-       this.md=m;
-    }
-
-    public void domove(float side,int part_id) {
-       xcoord = xcoord + xvelocity + this.md.sh_force[0][part_id];
-       ycoord = ycoord + yvelocity + this.md.sh_force[1][part_id];
-       zcoord = zcoord + zvelocity + this.md.sh_force[2][part_id];
-
-       if(xcoord < 0) { xcoord = xcoord + side; } 
-       if(xcoord > side) { xcoord = xcoord - side; }
-       if(ycoord < 0) { ycoord = ycoord + side; }
-       if(ycoord > side) { ycoord = ycoord - side; }
-       if(zcoord < 0) { zcoord = zcoord + side; }
-       if(zcoord > side) { zcoord = zcoord - side; }
-
-       xvelocity = xvelocity + this.md.sh_force[0][part_id];
-       yvelocity = yvelocity + this.md.sh_force[1][part_id];
-       zvelocity = zvelocity + this.md.sh_force[2][part_id];
-       //System.printI(0xc0);
-    }
-
-    public void force(float side, float rcoff,int mdsize,int x, MDRunner runner) {
-       float sideh;
-       float rcoffs;
-
-       float fxi,fyi,fzi;
-       float rd,rrd,rrd2,rrd3,rrd4,rrd6,rrd7,r148;
-       float forcex,forcey,forcez;
-       
-       float xx, yy, zz;
-
-       sideh = (float)0.5*side; 
-       rcoffs = rcoff*rcoff;
-
-       fxi = (float)0.0;
-       fyi = (float)0.0;
-       fzi = (float)0.0;
-       //System.printString("here 111: " + runner.id + "\n");
-       for (int i=x+1;i<mdsize;i++) {
-           xx = this.xcoord - this.md.one[i].xcoord;
-           yy = this.ycoord - this.md.one[i].ycoord;
-           zz = this.zcoord - this.md.one[i].zcoord;
-
-           if(xx < (-sideh)) { xx = xx + side; }
-           if(xx > (sideh))  { xx = xx - side; }
-           if(yy < (-sideh)) { yy = yy + side; }
-           if(yy > (sideh))  { yy = yy - side; }
-           if(zz < (-sideh)) { zz = zz + side; }
-           if(zz > (sideh))  { zz = zz - side; }
-
-
-           rd = xx*xx + yy*yy + zz*zz;
-
-           if(rd <= rcoffs) {
-               rrd = (float)1.0/rd;
-               rrd2 = rrd*rrd;
-               rrd3 = rrd2*rrd;
-               rrd4 = rrd2*rrd2;
-               rrd6 = rrd2*rrd4;
-               rrd7 = rrd6*rrd;
-               runner.epot = runner.epot + (rrd6 - rrd3);
-               r148 = rrd7 - (float)0.5*rrd4;
-               runner.vir = runner.vir - rd*r148;
-               forcex = xx * r148;
-               fxi = fxi + forcex;
-
-               runner.sh_force2[0][i] = runner.sh_force2[0][i] - forcex;
-
-               forcey = yy * r148;
-               fyi = fyi + forcey;
-
-               runner.sh_force2[1][i] = runner.sh_force2[1][i] - forcey;
-
-               forcez = zz * r148;
-               fzi = fzi + forcez;
-
-               runner.sh_force2[2][i] = runner.sh_force2[2][i] - forcez;
-
-               //this.md.interacts[id]++;
-           }
-
-       }
-       //System.printString("here 222: " + runner.id + "\n");
-       runner.sh_force2[0][x] = runner.sh_force2[0][x] + fxi;
-       runner.sh_force2[1][x] = runner.sh_force2[1][x] + fyi;
-       runner.sh_force2[2][x] = runner.sh_force2[2][x] + fzi;
-       //System.printString("here 333: " + runner.id + "\n");
-    }
-
-    public float mkekin(float hsq2,int part_id) {
-       float sumt = (float)0.0; 
-
-       xvelocity = xvelocity + this.md.sh_force[0][part_id]; 
-       yvelocity = yvelocity + this.md.sh_force[1][part_id]; 
-       zvelocity = zvelocity + this.md.sh_force[2][part_id]; 
-
-       sumt = (xvelocity*xvelocity)+(yvelocity*yvelocity)+(zvelocity*zvelocity);
-       return sumt;
-    }
-
-    public float velavg(float vaverh,float h) {
-       float velt;
-       float sq;
-
-       sq = Math.sqrtf(xvelocity*xvelocity + yvelocity*yvelocity + zvelocity*zvelocity);
-
-       velt = sq;
-       return velt;
-    }
-
-    public void dscal(float sc,int incx) {
-       xvelocity = xvelocity * sc;
-       yvelocity = yvelocity * sc;   
-       zvelocity = zvelocity * sc;   
-    }
-
-}
\ No newline at end of file
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup2/JGFMolDynBench.java b/Robust/src/Benchmarks/oooJava/moldyn/backup2/JGFMolDynBench.java
deleted file mode 100644 (file)
index b15ef21..0000000
+++ /dev/null
@@ -1,71 +0,0 @@
-/**************************************************************************
-*                                                                         *
-*         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
-*                                                                         *
-*                            produced by                                  *
-*                                                                         *
-*                  Java Grande Benchmarking Project                       *
-*                                                                         *
-*                                at                                       *
-*                                                                         *
-*                Edinburgh Parallel Computing Centre                      *
-*                                                                         * 
-*                email: epcc-javagrande@epcc.ed.ac.uk                     *
-*                                                                         *
-*                                                                         *
-*      This version copyright (c) The University of Edinburgh, 2001.      *
-*                         All rights reserved.                            *
-*                                                                         *
-**************************************************************************/
-
-
-public class JGFMolDynBench extends md  {
-
-  public static int nthreads;
-
-  public JGFMolDynBench(int nthreads) {
-        this.nthreads=nthreads;
-  }
-
-//   int size;
-
-  public void JGFsetsize(int size){
-    this.size = size;
-  }
-
-  public void JGFinitialise(){
-
-      initialise();
-
-  }
-
-  public void JGFapplication(){ 
-
-    runiters();
-
-  } 
-
-
-  public void JGFvalidate(){
-    double refval[] = new double[2];
-                                refval[0]= 1731.4306625334357;
-                                refval[1]=7397.392307839352;
-    double dev = Math.abs(ek[0] - refval[size]);
-    if (dev > 1.0e-10 ){
-      System.out.println("Validation failed");
-      System.out.println("Kinetic Energy = " + ek[0] + "  " + dev + "  " + size);
-    }
-  }
-
-  public void JGFrun(int size){
-    JGFsetsize(size); 
-
-    JGFinitialise(); 
-    JGFapplication(); 
-    JGFvalidate(); 
-
-  }
-
-
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup2/JGFMolDynBenchSizeB.java b/Robust/src/Benchmarks/oooJava/moldyn/backup2/JGFMolDynBenchSizeB.java
deleted file mode 100644 (file)
index 3362f5e..0000000
+++ /dev/null
@@ -1,24 +0,0 @@
-/**************************************************************************
- * * Java Grande Forum Benchmark Suite - Thread Version 1.0 * * produced by * *
- * Java Grande Benchmarking Project * * at * * Edinburgh Parallel Computing
- * Centre * * email: epcc-javagrande@epcc.ed.ac.uk * * * This version copyright
- * (c) The University of Edinburgh, 2001. * All rights reserved. * *
- **************************************************************************/
-
-public class JGFMolDynBenchSizeB {
-
-  public static void main(String argv[]) {
-    int nthreads;
-    if (argv.length != 0) {
-      nthreads = Integer.parseInt(argv[0]);
-    } else {
-      System.out.println("The no of threads has not been specified, defaulting to 1");
-      System.out.println("  ");
-      nthreads = 1;
-    }
-    // JGFMolDynBench mold = new JGFMolDynBench(nthreads);
-    // mold.JGFrun(1);
-    md mold = new md();
-    mold.JGFrun(1,nthreads);
-  }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup2/md.java b/Robust/src/Benchmarks/oooJava/moldyn/backup2/md.java
deleted file mode 100644 (file)
index ca0f01a..0000000
+++ /dev/null
@@ -1,756 +0,0 @@
-import mlp.montecarlo.JGFTimer;
-
-/**************************************************************************
- * * Java Grande Forum Benchmark Suite - Version 2.0 * * produced by * * Java
- * Grande Benchmarking Project * * at * * Edinburgh Parallel Computing Centre *
- * * email: epcc-javagrande@epcc.ed.ac.uk * * Original version of this code by *
- * Dieter Heermann * converted to Java by * Lorna Smith (l.smith@epcc.ed.ac.uk)
- * * (see copyright notice below) * * This version copyright (c) The University
- * of Edinburgh, 2001. * All rights reserved. * *
- **************************************************************************/
-
-public class md {
-
-  public static final int ITERS;
-  public static final double LENGTH;
-  public static final double m;
-  public static final double mu;
-  public static final double kb;
-  public static final double TSIM;
-  public static final double deltat;
-
-  public static int PARTSIZE;
-
-  public static double[] epot;
-  public static double[] vir;
-  public static double[] ek;
-
-  int size, mm;
-  int datasizes[];
-
-  public static int interactions;
-  public static int[] interacts;
-
-  public static int nthreads;
-  
-  /////////////////
-  double l, rcoff, rcoffs, side, sideh, hsq, hsq2, vel, velt;
-  double a, r, sum, tscale, sc, ekin, ts, sp;
-  double den;
-  double tref;
-  double h;
-  double vaver, vaverh, rand;
-  double etot, temp, pres, rp;
-  double u1, u2, v1, v2, s, xx, yy, zz;
-  double xvelocity, yvelocity, zvelocity;
-  int id, i, j, k, lg, mdsize, move;
-  particle one[];
-  int ijk, npartm, iseed, tint;
-  int irep;
-  int istop;
-  int iprint;
-  int movemx;
-  //////////////////
-
-  // int size;
-
-  public void JGFsetsize(int size) {
-    this.size = size;
-  }
-
-  public void JGFinitialise() {
-
-    initialise();
-
-  }
-
-  public void JGFapplication() {
-
-    runiters();
-
-  }
-
-  public void JGFvalidate() {
-    double refval[] = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dev = Math.abs(ek[0] - refval[size]);
-    if (dev > 1.0e-10) {
-      System.out.println("Validation failed");
-      System.out.println("Kinetic Energy = " + ek[0] + "  " + dev + "  " + size);
-    }
-  }
-
-  public void JGFrun(int size,int nthreads) {
-    this.nthreads=nthreads;
-
-    JGFsetsize(size);
-
-    JGFinitialise();
-    JGFapplication();
-    JGFvalidate();
-
-  }
-
-  public md() {
-    ITERS = 100;
-    LENGTH = 50e-10;
-    m = 4.0026;
-    mu = 1.66056e-27;
-    kb = 1.38066e-23;
-    TSIM = 50;
-    deltat = 5e-16;
-
-    datasizes = new int[2];
-    datasizes[0] = 8;
-    datasizes[1] = 13;
-
-    interactions = 0;
-
-  }
-
-  public void initialise() {
-
-    mm = datasizes[size];
-    PARTSIZE = mm * mm * mm * 4;
-
-  }
-
-  public void runiters() {
-
-    /* Create new arrays */
-
-    epot = new double[nthreads];
-    vir = new double[nthreads];
-    ek = new double[nthreads];
-
-    interacts = new int[nthreads];
-
-    double sh_force[][] = new double[3][PARTSIZE];
-    double sh_force2[][][] = new double[3][nthreads][PARTSIZE];
-
-//    mdRunner thobjects[] = new mdRunner[JGFMolDynBench.nthreads];
-//    for (int i = 0; i < JGFMolDynBench.nthreads; i++) {
-//      thobjects[i] = new mdRunner(i, mm, sh_force, sh_force2);
-//      thobjects[0].run();
-//    }
-    
-    
-    /* Parameter determination */
-
-    mdsize = PARTSIZE;
-    one = new particle[mdsize];
-    l = LENGTH;
-
-    side = Math.pow((mdsize / den), 0.3333333);
-    rcoff = mm / 4.0;
-
-    a = side / mm;
-    sideh = side * 0.5;
-    hsq = h * h;
-    hsq2 = hsq * 0.5;
-    npartm = mdsize - 1;
-    rcoffs = rcoff * rcoff;
-    tscale = 16.0 / (1.0 * mdsize - 1.0);
-    vaver = 1.13 * Math.sqrt(tref / 24.0);
-    vaverh = vaver * h;
-
-    /* Particle Generation */
-
-    xvelocity = 0.0;
-    yvelocity = 0.0;
-    zvelocity = 0.0;
-
-    ijk = 0;
-    for (lg = 0; lg <= 1; lg++) {
-      for (i = 0; i < mm; i++) {
-        for (j = 0; j < mm; j++) {
-          for (k = 0; k < mm; k++) {
-            one[ijk] =
-                new particle((i * a + lg * a * 0.5), (j * a + lg * a * 0.5), (k * a), xvelocity,
-                    yvelocity, zvelocity, sh_force, sh_force2, id);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-    for (lg = 1; lg <= 2; lg++) {
-      for (i = 0; i < mm; i++) {
-        for (j = 0; j < mm; j++) {
-          for (k = 0; k < mm; k++) {
-            one[ijk] =
-                new particle((i * a + (2 - lg) * a * 0.5), (j * a + (lg - 1) * a * 0.5),
-                    (k * a + a * 0.5), xvelocity, yvelocity, zvelocity, sh_force, sh_force2, id
-                    );
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-
-    
-
-  }
-
-}
-
-class mdRunner {
-
-  double count;
-
-  int id, i, j, k, lg, mdsize, move, mm;
-
-  double l, rcoff, rcoffs, side, sideh, hsq, hsq2, vel, velt;
-  double a, r, sum, tscale, sc, ekin, ts, sp;
-  double den;
-  double tref;
-  double h;
-  double vaver, vaverh, rand;
-  double etot, temp, pres, rp;
-  double u1, u2, v1, v2, s, xx, yy, zz;
-  double xvelocity, yvelocity, zvelocity;
-
-  double[][] sh_force;
-  double[][][] sh_force2;
-
-  int ijk, npartm, iseed, tint;
-  int irep;
-  int istop;
-  int iprint;
-  int movemx;
-
-  random randnum;
-
-  particle one[];
-
-  public double mdr_epot;
-  public double mdr_vir;
-  public int mdr_interacts;
-  md md;
-
-  public mdRunner(int id, int mm, double[][] sh_force, double[][][] sh_force2, md md) {
-    count = 0.0;
-    irep = 10;
-    istop = 19;
-    iprint = 10;
-    movemx = 50;
-    den = 0.83134;
-    tref = 0.722;
-    h = 0.064;
-
-    this.id = id;
-    this.mm = mm;
-    this.sh_force = sh_force;
-    this.sh_force2 = sh_force2;
-    this.md=md;
-  }
-
-  public void run() {
-
-    /* Parameter determination */
-
-    mdsize = md.PARTSIZE;
-    one = new particle[mdsize];
-    l = md.LENGTH;
-
-    side = Math.pow((mdsize / den), 0.3333333);
-    rcoff = mm / 4.0;
-
-    a = side / mm;
-    sideh = side * 0.5;
-    hsq = h * h;
-    hsq2 = hsq * 0.5;
-    npartm = mdsize - 1;
-    rcoffs = rcoff * rcoff;
-    tscale = 16.0 / (1.0 * mdsize - 1.0);
-    vaver = 1.13 * Math.sqrt(tref / 24.0);
-    vaverh = vaver * h;
-
-    /* Particle Generation */
-
-    xvelocity = 0.0;
-    yvelocity = 0.0;
-    zvelocity = 0.0;
-
-    ijk = 0;
-    for (lg = 0; lg <= 1; lg++) {
-      for (i = 0; i < mm; i++) {
-        for (j = 0; j < mm; j++) {
-          for (k = 0; k < mm; k++) {
-            one[ijk] =
-                new particle((i * a + lg * a * 0.5), (j * a + lg * a * 0.5), (k * a), xvelocity,
-                    yvelocity, zvelocity, sh_force, sh_force2, id);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-    for (lg = 1; lg <= 2; lg++) {
-      for (i = 0; i < mm; i++) {
-        for (j = 0; j < mm; j++) {
-          for (k = 0; k < mm; k++) {
-            one[ijk] =
-                new particle((i * a + (2 - lg) * a * 0.5), (j * a + (lg - 1) * a * 0.5),
-                    (k * a + a * 0.5), xvelocity, yvelocity, zvelocity, sh_force, sh_force2, id);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-
-    /* Initialise velocities */
-
-    iseed = 0;
-    v1 = 0.0;
-    v2 = 0.0;
-
-    randnum = new random(iseed, v1, v2);
-
-    for (i = 0; i < mdsize; i += 2) {
-      r = randnum.seed();
-      one[i].xvelocity = r * randnum.v1;
-      one[i + 1].xvelocity = r * randnum.v2;
-    }
-
-    for (i = 0; i < mdsize; i += 2) {
-      r = randnum.seed();
-      one[i].yvelocity = r * randnum.v1;
-      one[i + 1].yvelocity = r * randnum.v2;
-    }
-
-    for (i = 0; i < mdsize; i += 2) {
-      r = randnum.seed();
-      one[i].zvelocity = r * randnum.v1;
-      one[i + 1].zvelocity = r * randnum.v2;
-    }
-
-    /* velocity scaling */
-
-    ekin = 0.0;
-    sp = 0.0;
-
-    for (i = 0; i < mdsize; i++) {
-      sp = sp + one[i].xvelocity;
-    }
-    sp = sp / mdsize;
-
-    for (i = 0; i < mdsize; i++) {
-      one[i].xvelocity = one[i].xvelocity - sp;
-      ekin = ekin + one[i].xvelocity * one[i].xvelocity;
-    }
-
-    sp = 0.0;
-    for (i = 0; i < mdsize; i++) {
-      sp = sp + one[i].yvelocity;
-    }
-    sp = sp / mdsize;
-
-    for (i = 0; i < mdsize; i++) {
-      one[i].yvelocity = one[i].yvelocity - sp;
-      ekin = ekin + one[i].yvelocity * one[i].yvelocity;
-    }
-
-    sp = 0.0;
-    for (i = 0; i < mdsize; i++) {
-      sp = sp + one[i].zvelocity;
-    }
-    sp = sp / mdsize;
-
-    for (i = 0; i < mdsize; i++) {
-      one[i].zvelocity = one[i].zvelocity - sp;
-      ekin = ekin + one[i].zvelocity * one[i].zvelocity;
-    }
-
-    ts = tscale * ekin;
-    sc = h * Math.sqrt(tref / ts);
-
-    for (i = 0; i < mdsize; i++) {
-
-      one[i].xvelocity = one[i].xvelocity * sc;
-      one[i].yvelocity = one[i].yvelocity * sc;
-      one[i].zvelocity = one[i].zvelocity * sc;
-
-    }
-
-    /* Synchronise threads and start timer before MD simulation */
-
-    // br.DoBarrier(id);
-    // if (id == 0) JGFInstrumentor.startTimer("Section3:MolDyn:Run");
-    // br.DoBarrier(id);
-
-    /* MD simulation */
-
-    move = 0;
-    for (move = 0; move < movemx; move++) {
-
-      /* move the particles and update velocities */
-
-      for (i = 0; i < mdsize; i++) {
-        one[i].domove(side, i);
-      }
-
-      /* Barrier */
-      // br.DoBarrier(id);
-
-      if (id == 0) {
-        for (j = 0; j < 3; j++) {
-          for (i = 0; i < mdsize; i++) {
-            sh_force[j][i] = 0.0;
-          }
-        }
-      }
-
-      // md.epot[id] = 0.0;
-      // md.vir[id] = 0.0;
-      // md.interacts[id] = 0;
-      mdr_epot = 0.0;
-      mdr_vir = 0.0;
-      mdr_interacts = 0;
-
-      /* Barrier */
-      // br.DoBarrier(id);
-
-      /* compute forces */
-
-      for (i = 0 + id; i < mdsize; i += md.nthreads) {        
-//        one[i].force(side, rcoff, mdsize, i, xx, yy, zz,mdr);
-      }
-
-      /* Barrier */
-      // br.DoBarrier(id);
-
-      /* update force arrays */
-
-      if (id == 0) {
-        for (int k = 0; k < 3; k++) {
-          for (i = 0; i < mdsize; i++) {
-            for (j = 0; j <md.nthreads; j++) {
-              sh_force[k][i] += sh_force2[k][j][i];
-            }
-          }
-        }
-      }
-
-      if (id == 0) {
-        for (int k = 0; k < 3; k++) {
-          for (i = 0; i < mdsize; i++) {
-            for (j = 0; j < md.nthreads; j++) {
-              sh_force2[k][j][i] = 0.0;
-            }
-          }
-        }
-      }
-
-      if (id == 0) {
-        for (j = 1; j < md.nthreads; j++) {
-          md.epot[0] += md.epot[j];
-          md.vir[0] += md.vir[j];
-        }
-        for (j = 1; j < md.nthreads; j++) {
-          md.epot[j] = md.epot[0];
-          md.vir[j] = md.vir[0];
-        }
-        for (j = 0; j <md.nthreads; j++) {
-          md.interactions += md.interacts[j];
-        }
-      }
-
-      /* Barrier */
-      // br.DoBarrier(id);
-
-      if (id == 0) {
-        for (j = 0; j < 3; j++) {
-          for (i = 0; i < mdsize; i++) {
-            sh_force[j][i] = sh_force[j][i] * hsq2;
-          }
-        }
-      }
-
-      sum = 0.0;
-
-      /* Barrier */
-      // br.DoBarrier(id);
-
-      /* scale forces, update velocities */
-
-      for (i = 0; i < mdsize; i++) {
-        sum = sum + one[i].mkekin(hsq2, i);
-      }
-
-      ekin = sum / hsq;
-
-      vel = 0.0;
-      count = 0.0;
-
-      /* average velocity */
-
-      for (i = 0; i < mdsize; i++) {
-        velt = one[i].velavg(vaverh, h);
-        if (velt > vaverh) {
-          count = count + 1.0;
-        }
-        vel = vel + velt;
-      }
-
-      vel = vel / h;
-
-      /* temperature scale if required */
-
-      if ((move < istop) && (((move + 1) % irep) == 0)) {
-        sc = Math.sqrt(tref / (tscale * ekin));
-        for (i = 0; i < mdsize; i++) {
-          one[i].dscal(sc, 1);
-        }
-        ekin = tref / tscale;
-      }
-
-      /* sum to get full potential energy and virial */
-
-      if (((move + 1) % iprint) == 0) {
-        md.ek[id] = 24.0 * ekin;
-        md.epot[id] = 4.0 * md.epot[id];
-        etot = md.ek[id] + md.epot[id];
-        temp = tscale * ekin;
-        pres = den * 16.0 * (ekin - md.vir[id]) / mdsize;
-        vel = vel / mdsize;
-        rp = (count / mdsize) * 100.0;
-      }
-
-      // br.DoBarrier(id);
-    }
-
-    // br.DoBarrier(id);
-    // if (id == 0) JGFInstrumentor.stopTimer("Section3:MolDyn:Run");
-
-  }
-
-}
-
-class particle {
-
-  public double xcoord, ycoord, zcoord;
-  public double xvelocity, yvelocity, zvelocity;
-  int part_id;
-  int id;
-  double[][] sh_force;
-  double[][][] sh_force2;
-//  mdRunner runner;
-
-  public particle(double xcoord, double ycoord, double zcoord, double xvelocity, double yvelocity,
-      double zvelocity, double[][] sh_force, double[][][] sh_force2, int id) {
-
-    this.xcoord = xcoord;
-    this.ycoord = ycoord;
-    this.zcoord = zcoord;
-    this.xvelocity = xvelocity;
-    this.yvelocity = yvelocity;
-    this.zvelocity = zvelocity;
-    this.sh_force = sh_force;
-    this.sh_force2 = sh_force2;
-    this.id = id;
-
-  }
-
-  public void domove(double side, int part_id) {
-
-    xcoord = xcoord + xvelocity + sh_force[0][part_id];
-    ycoord = ycoord + yvelocity + sh_force[1][part_id];
-    zcoord = zcoord + zvelocity + sh_force[2][part_id];
-
-    if (xcoord < 0) {
-      xcoord = xcoord + side;
-    }
-    if (xcoord > side) {
-      xcoord = xcoord - side;
-    }
-    if (ycoord < 0) {
-      ycoord = ycoord + side;
-    }
-    if (ycoord > side) {
-      ycoord = ycoord - side;
-    }
-    if (zcoord < 0) {
-      zcoord = zcoord + side;
-    }
-    if (zcoord > side) {
-      zcoord = zcoord - side;
-    }
-
-    xvelocity = xvelocity + sh_force[0][part_id];
-    yvelocity = yvelocity + sh_force[1][part_id];
-    zvelocity = zvelocity + sh_force[2][part_id];
-
-  }
-
-  public void force(double side, double rcoff, int mdsize, int x, double xx, double yy, double zz, mdRunner mdr) {
-
-    double sideh;
-    double rcoffs;
-
-    double fxi, fyi, fzi;
-    double rd, rrd, rrd2, rrd3, rrd4, rrd6, rrd7, r148;
-    double forcex, forcey, forcez;
-
-    sideh = 0.5 * side;
-    rcoffs = rcoff * rcoff;
-
-    fxi = 0.0;
-    fyi = 0.0;
-    fzi = 0.0;
-
-    for (int i = x + 1; i < mdsize; i++) {
-      xx = this.xcoord - mdr.one[i].xcoord;
-      yy = this.ycoord - mdr.one[i].ycoord;
-      zz = this.zcoord - mdr.one[i].zcoord;
-
-      if (xx < (-sideh)) {
-        xx = xx + side;
-      }
-      if (xx > (sideh)) {
-        xx = xx - side;
-      }
-      if (yy < (-sideh)) {
-        yy = yy + side;
-      }
-      if (yy > (sideh)) {
-        yy = yy - side;
-      }
-      if (zz < (-sideh)) {
-        zz = zz + side;
-      }
-      if (zz > (sideh)) {
-        zz = zz - side;
-      }
-
-      rd = xx * xx + yy * yy + zz * zz;
-
-      if (rd <= rcoffs) {
-        rrd = 1.0 / rd;
-        rrd2 = rrd * rrd;
-        rrd3 = rrd2 * rrd;
-        rrd4 = rrd2 * rrd2;
-        rrd6 = rrd2 * rrd4;
-        rrd7 = rrd6 * rrd;
-        // md.epot[id] = md.epot[id] + (rrd6 - rrd3);
-        mdr.mdr_epot = mdr.mdr_epot + (rrd6 - rrd3);
-        r148 = rrd7 - 0.5 * rrd4;
-        // md.vir[id] = md.vir[id] - rd*r148;
-        mdr.mdr_vir = mdr.mdr_vir - rd * r148;
-        forcex = xx * r148;
-        fxi = fxi + forcex;
-
-        sh_force2[0][id][i] = sh_force2[0][id][i] - forcex;
-
-        forcey = yy * r148;
-        fyi = fyi + forcey;
-
-        sh_force2[1][id][i] = sh_force2[1][id][i] - forcey;
-
-        forcez = zz * r148;
-        fzi = fzi + forcez;
-
-        sh_force2[2][id][i] = sh_force2[2][id][i] - forcez;
-
-        // md.interacts[id]++;
-        mdr.mdr_interacts++;
-      }
-
-    }
-
-    sh_force2[0][id][x] = sh_force2[0][id][x] + fxi;
-    sh_force2[1][id][x] = sh_force2[1][id][x] + fyi;
-    sh_force2[2][id][x] = sh_force2[2][id][x] + fzi;
-
-  }
-
-  public double mkekin(double hsq2, int part_id) {
-
-    double sumt = 0.0;
-
-    xvelocity = xvelocity + sh_force[0][part_id];
-    yvelocity = yvelocity + sh_force[1][part_id];
-    zvelocity = zvelocity + sh_force[2][part_id];
-
-    sumt = (xvelocity * xvelocity) + (yvelocity * yvelocity) + (zvelocity * zvelocity);
-    return sumt;
-  }
-
-  public double velavg(double vaverh, double h) {
-
-    double velt;
-    double sq;
-
-    sq = Math.sqrt(xvelocity * xvelocity + yvelocity * yvelocity + zvelocity * zvelocity);
-
-    velt = sq;
-    return velt;
-  }
-
-  public void dscal(double sc, int incx) {
-
-    xvelocity = xvelocity * sc;
-    yvelocity = yvelocity * sc;
-    zvelocity = zvelocity * sc;
-
-  }
-
-}
-
-class random {
-
-  public int iseed;
-  public double v1, v2;
-
-  public random(int iseed, double v1, double v2) {
-    this.iseed = iseed;
-    this.v1 = v1;
-    this.v2 = v2;
-  }
-
-  public double update() {
-
-    double rand;
-    double scale = 4.656612875e-10;
-
-    int is1, is2, iss2;
-    int imult = 16807;
-    int imod = 2147483647;
-
-    if (iseed <= 0) {
-      iseed = 1;
-    }
-
-    is2 = iseed % 32768;
-    is1 = (iseed - is2) / 32768;
-    iss2 = is2 * imult;
-    is2 = iss2 % 32768;
-    is1 = (is1 * imult + (iss2 - is2) / 32768) % (65536);
-
-    iseed = (is1 * 32768 + is2) % imod;
-
-    rand = scale * iseed;
-
-    return rand;
-
-  }
-
-  public double seed() {
-
-    double s, u1, u2, r;
-    s = 1.0;
-    do {
-      u1 = update();
-      u2 = update();
-
-      v1 = 2.0 * u1 - 1.0;
-      v2 = 2.0 * u2 - 1.0;
-      s = v1 * v1 + v2 * v2;
-
-    } while (s >= 1.0);
-
-    r = Math.sqrt(-2.0 * Math.log(s) / s);
-
-    return r;
-
-  }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/Barrier.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/Barrier.java
deleted file mode 100644 (file)
index 590b3a6..0000000
+++ /dev/null
@@ -1,48 +0,0 @@
-public class Barrier {
-  int numthreads;
-  int entercount;
-  boolean cleared;
-
-  public Barrier(int n) {
-    numthreads=n;
-    cleared = false;
-  }
-
-  public Barrier() {
-
-  }
-
-  public void reset() {
-    cleared = false;
-    entercount = 0;
-  }
-
-  public static void enterBarrier(Barrier b) {
-    int tmp;
-    boolean retry=true;
-
-    do {
-      if (!b.cleared) {
-        b.entercount++;
-        tmp = b.entercount;
-        if (tmp==b.numthreads) {
-          if(b.numthreads > 1)
-            b.cleared=true;
-          b.entercount--;
-          return;
-        }
-        retry=false;
-      }
-    } while(retry);
-
-    while(true) {
-      if (b.cleared) {
-        b.entercount--;
-        int count = b.entercount;
-        if (count==0)
-          b.cleared=false;
-        return;
-      }
-    }
-  }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/DoubleWrapper.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/DoubleWrapper.java
deleted file mode 100644 (file)
index c0bd06d..0000000
+++ /dev/null
@@ -1,6 +0,0 @@
-public class DoubleWrapper {
-  public DoubleWrapper() {
-
-  }
-  double d;
-}
\ No newline at end of file
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/IntWrapper.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/IntWrapper.java
deleted file mode 100644 (file)
index 8bf875d..0000000
+++ /dev/null
@@ -1,6 +0,0 @@
-public class IntWrapper {
-  public IntWrapper() {
-
-  }
-  int i;
-}
\ No newline at end of file
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFInstrumentor.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFInstrumentor.java
deleted file mode 100644 (file)
index 80db828..0000000
+++ /dev/null
@@ -1,201 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 1999.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFInstrumentor{
-
-  protected HashMap timers;
-  protected HashMap data; 
-
-  public JGFInstrumentor() {
-    timers = new HashMap();
-    data = new HashMap(); 
-  }
-
-  public static void addTimer (String name, HashMap timers){
-
-    if (timers.containsKey(name)) {
-      System.printString("JGFInstrumentor.addTimer: warning -  timer " + name + 
-          " already exists\n");
-    }
-    else {
-      timers.put(name, new JGFTimer(name));
-    }
-  }
-
-  public static void addTimer (String name, String opname, HashMap timers){
-
-    if (timers.containsKey(name)) {
-      System.printString("JGFInstrumentor.addTimer: warning -  timer " + name + 
-          " already exists\n");
-    }
-    else {
-      timers.put(name, new JGFTimer(name,opname));
-    }
-
-  }
-
-  public static void addTimer (String name, String opname, int size, HashMap timers){
-
-    if (timers.containsKey(name)) {
-      System.printString("JGFInstrumentor.addTimer: warning -  timer " + name +
-          " already exists\n");
-    }
-    else {
-      timers.put(name, new JGFTimer(name,opname,size));
-    }
-
-  }
-
-  public static void startTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).start();
-    }
-    else {
-      System.printString("JGFInstrumentor.startTimer: failed -  timer " + name + 
-          " does not exist\n");
-    }
-
-  }
-
-  public static void stopTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).stop();
-    }
-    else {
-      System.printString("JGFInstrumentor.stopTimer: failed -  timer " + name + 
-          " does not exist\n");
-    }
-  }
-
-  public static void addOpsToTimer(String name, double count, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).addops(count);
-    }
-    else {
-      System.printString("JGFInstrumentor.addOpsToTimer: failed -  timer " + name + 
-          " does not exist\n");
-    }
-  }  
-
-  public static void addTimeToTimer(String name, double added_time, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).addtime(added_time);
-    }
-    else {
-      System.printString("JGFInstrumentor.addTimeToTimer: failed -  timer " + name +
-          " does not exist\n");
-    }
-
-
-
-  }
-
-  public static double readTimer(String name, HashMap timers){
-    double time; 
-    if (timers.containsKey(name)) {
-      time = ((JGFTimer) timers.get(name)).time;
-    }
-    else {
-      System.printString("JGFInstrumentor.readTimer: failed -  timer " + name + 
-          " does not exist\n");
-      time = 0.0; 
-    }
-    return time; 
-  }  
-
-  public static void resetTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).reset();
-    }
-    else {
-      System.printString("JGFInstrumentor.resetTimer: failed -  timer " + name +
-          " does not exist\n");
-    }
-  }
-
-  public static void printTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).print();
-    }
-    else {
-      System.printString("JGFInstrumentor.printTimer: failed -  timer " + name +
-          " does not exist\n");
-    }
-  }
-
-  public static void printperfTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).printperf();
-    }
-    else {
-      System.printString("JGFInstrumentor.printTimer: failed -  timer " + name +
-          " does not exist\n");
-    }
-  }
-
-  public static void storeData(String name, Object obj, HashMap data){
-    data.put(name,obj); 
-  }
-
-  public static void retrieveData(String name, Object obj, HashMap data){
-    obj = data.get(name); 
-  }
-
-  public static void printHeader(int section, int size,int nthreads) {
-
-    String header, base; 
-
-    header = "";
-    base = "Java Grande Forum Thread Benchmark Suite - Version 1.0 - Section "; 
-
-    if (section == 1)
-    {
-      header = base + "1";
-    }
-    else if (section == 2)
-    {
-      if (size == 0)
-        header = base + "2 - Size A";
-      else if (size == 1)
-        header = base + "2 - Size B";
-      else if (size == 2)
-        header = base + "2 - Size C";
-    }
-    else if (section == 3)
-    {
-      if (size == 0)
-        header = base + "3 - Size A";
-      else if (size == 1)
-        header = base + "3 - Size B";
-      else if (size == 2)
-        header = base + "3 - Size C";
-    }
-
-    System.printString(header + "\n"); 
-
-    if (nthreads == 1) {
-      System.printString("Executing on " + nthreads + " thread\n");
-    }
-    else {
-      System.printString("Executing on " + nthreads + " threads\n");
-    }
-
-    System.printString(" \n");
-  } 
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBench.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBench.java
deleted file mode 100644 (file)
index 828ed06..0000000
+++ /dev/null
@@ -1,653 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFMolDynBench {
-  public int ITERS;
-  public double LENGTH;
-  public double m;
-  public double mu;
-  public double kb;
-  public double TSIM;
-  public double deltat;
-
-  public int PARTSIZE;
-
-  public double[] epot;
-  public double[] vir;
-  public double[] ek;
-
-  int size,mm;
-  int[] datasizes;
-
-  public int interactions;
-  public int[] interacts;
-
-  public int nthreads;
-  public JGFInstrumentor instr;
-
-  public JGFMolDynBench(int nthreads) {
-    this.nthreads=nthreads;
-  }
-
-  public void JGFsetsize(int size){
-    this.size = size;
-  }
-
-  public void JGFinitialise(){
-    interactions = 0;
-    datasizes = new int[3];
-    datasizes[0] = 8;
-    datasizes[1] = 13;
-    datasizes[2] = 11;
-
-    mm = datasizes[size];
-    PARTSIZE = mm*mm*mm*4;
-    ITERS = 100;
-    LENGTH = 50e-10;
-    m = 4.0026;
-    mu = 1.66056e-27;
-    kb = 1.38066e-23;
-    TSIM = 50;
-    deltat = 5e-16;
-  }
-
-  public static void JGFapplication(JGFMolDynBench mold) { 
-    double sh_force [][];
-    double sh_force2 [][][];
-    int partsize, numthreads;
-    partsize = mold.PARTSIZE;
-    numthreads = mold.nthreads;
-
-    sh_force = new double[3][partsize];
-    sh_force2 = new double[3][numthreads][partsize];
-    mold.epot = new double[numthreads];
-    mold.vir  = new double[numthreads];
-    mold.ek   = new double[numthreads];
-    mold.interacts = new int[numthreads];
-//    for(int i=0;i<numthreads;i++) {
-//      mold.epot[i]=new double();
-//      mold.vir[i]=new double();
-//      mold.ek[i]=new double();
-//      mold.interacts[i]=new IntWrapper();
-//    }
-
-    // spawn threads 
-    MDWrap[] thobjects = new MDWrap[numthreads];
-
-    for(int i=0;i<numthreads;i++) {
-      thobjects[i] = new MDWrap(new mdRunner(i,mold.mm,sh_force,sh_force2,mold.nthreads,mold));
-    }
-
-    /*
-       boolean waitfordone=true;
-       while(waitfordone) {
-       if (mybarr.done)
-       waitfordone=false;
-       }
-       */
-
-    for(int i=0;i<numthreads;i++) {
-      //thobjects[i].md.start(mid[i]);
-      thobjects[i].md.run();
-    }
-  }
-
-  public void JGFvalidate(){
-    double[] refval = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dev = Math.fabs(ek[0] - refval[size]);
-    if (dev > 1.0e-10 ){
-      //System.printString("Validation failed\n");
-      //System.printString("Kinetic Energy = " + (long)ek[0] + "  " + (long)dev + "  " + size + "\n");
-    }
-  }
-}
-
-class mdRunner {
-
-  double count;
-  int id,i,j,k,lg,mm;
-  double l,rcoff,rcoffs,side,sideh,hsq,hsq2,vel,velt;
-  double a,r,sum,tscale,sc,ekin,ts,sp;
-  double den;
-  double tref;
-  double h;
-  double vaver,vaverh,rand;
-  double etot,temp,pres,rp;
-  double u1, u2, s, xx, yy, zz;
-  double xvelocity, yvelocity, zvelocity;
-
-  double [][] sh_force;
-  double [][][] sh_force2;
-
-  int ijk,npartm,iseed,tint;
-  int irep;
-  int istop;
-  int iprint;
-
-  JGFMolDynBench mymd;
-  int nthreads;
-
-  public mdRunner(int id, int mm, double [][] sh_force, double [][][] sh_force2, 
-      int nthreads, JGFMolDynBench mymd) {
-    this.id=id;
-    this.mm=mm;
-    this.sh_force=sh_force;
-    this.sh_force2=sh_force2;
-    this.nthreads = nthreads;
-    this.mymd = mymd;
-    count = 0.0;
-    den = 0.83134;
-    tref = 0.722;
-    h = 0.064;
-    irep = 10;
-    istop = 19;
-    iprint = 10;
-  } 
-
-  public void init(particle[] one, int mdsize) {
-    int id=this.id;
-    for (int lg=0; lg<=1; lg++) {
-      for (int i=0; i<mm; i++) {
-        for (int j=0; j<mm; j++) {
-          for (int k=0; k<mm; k++) {
-            one[ijk] = new particle((i*a+lg*a*0.5),(j*a+lg*a*0.5),(k*a),
-                xvelocity,yvelocity,zvelocity,sh_force,sh_force2,id,one);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-
-    for (int lg=1; lg<=2; lg++) {
-      for (int i=0; i<mm; i++) {
-        for (int j=0; j<mm; j++) {
-          for (int k=0; k<mm; k++) {
-            one[ijk] = new particle((i*a+(2-lg)*a*0.5),(j*a+(lg-1)*a*0.5),
-                (k*a+a*0.5),xvelocity,yvelocity,zvelocity,sh_force,sh_force2,id,one);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-
-    /* Initialise velocities */
-
-    iseed = 0;
-    double v1 = 0.0;
-    double v2 = 0.0;
-    random randnum = new random(iseed,v1,v2);
-
-
-    for (int i=0; i<mdsize; i+=2) {
-      r  = randnum.seed();
-      one[i].xvelocity = r*randnum.v1;
-      one[i+1].xvelocity  = r*randnum.v2;
-    }
-
-    for (int i=0; i<mdsize; i+=2) {
-      r  = randnum.seed();
-      one[i].yvelocity = r*randnum.v1;
-      one[i+1].yvelocity  = r*randnum.v2;
-    }
-
-    for (int i=0; i<mdsize; i+=2) {
-      r  = randnum.seed();
-      one[i].zvelocity = r*randnum.v1;
-      one[i+1].zvelocity  = r*randnum.v2;
-    }
-
-
-    /* velocity scaling */
-
-    ekin = 0.0;
-    sp = 0.0;
-
-    for(int i=0;i<mdsize;i++) {
-      sp = sp + one[i].xvelocity;
-    }
-    sp = sp / mdsize;
-
-    for(int i=0;i<mdsize;i++) {
-      one[i].xvelocity = one[i].xvelocity - sp;
-      ekin = ekin + one[i].xvelocity*one[i].xvelocity;
-    }
-
-    sp = 0.0;
-    for(int i=0;i<mdsize;i++) {
-      sp = sp + one[i].yvelocity;
-    }
-    sp = sp / mdsize;
-
-    for(int i=0;i<mdsize;i++) {
-      one[i].yvelocity = one[i].yvelocity - sp;
-      ekin = ekin + one[i].yvelocity*one[i].yvelocity;
-    }
-
-
-    sp = 0.0;
-    for(int i=0;i<mdsize;i++) {
-      sp = sp + one[i].zvelocity;
-    }
-    sp = sp / mdsize;
-
-    for(int i=0;i<mdsize;i++) {
-      one[i].zvelocity = one[i].zvelocity - sp;
-      ekin = ekin + one[i].zvelocity*one[i].zvelocity;
-    }
-
-    ts = tscale * ekin;
-    sc = h * Math.sqrt(tref/ts);
-
-
-    for(int i=0;i<mdsize;i++) {
-
-      one[i].xvelocity = one[i].xvelocity * sc;     
-      one[i].yvelocity = one[i].yvelocity * sc;     
-      one[i].zvelocity = one[i].zvelocity * sc;     
-
-    }
-
-  }
-
-  public void doinit(int mdsize) {
-    for(int j=0;j<3;j++) {
-      double[] sh=sh_force[j];
-      for (int i=0;i<mdsize;i++) {
-        sh[i] = 0.0;
-      }
-    }
-  }
-
-
-  public void doinit2(int mdsize) {
-    for(int k=0;k<3;k++) {
-      double[] sh=sh_force[k];
-      double [][] sha=sh_force2[k];
-      for(int j=0;j<nthreads;j++) {
-        double[] sha2=sha[j];
-        for(int i=0;i<mdsize;i++) {
-          sh[i] += sha2[i];
-        }
-      }
-    }
-
-    for(int k=0;k<3;k++) {
-      double [][] sh1=sh_force2[k];
-      for(int j=0;j<nthreads;j++) {
-        double[] sh2=sh1[j];
-        for(int i=0;i<mdsize;i++) {
-
-
-          sh2[i] = 0.0;
-        }
-      }
-    }
-
-    for(int j=1;j<nthreads;j++) {
-      mymd.epot[0] += mymd.epot[j];
-      mymd.vir[0] += mymd.vir[j];
-    }
-    for(int j=1;j<nthreads;j++) {       
-      mymd.epot[j] = mymd.epot[0];
-      mymd.vir[j] = mymd.vir[0];
-    }
-    for(int j=0;j<nthreads;j++) {
-      mymd.interactions += mymd.interacts[j]; 
-    }
-
-    for (int j=0;j<3;j++) {
-      double sh[]=sh_force[j];
-      for (int i=0;i<mdsize;i++) {
-        sh[i] = sh[i] * hsq2;
-      }
-    }
-  }
-
-  public void run() {
-    /* Parameter determination */
-
-    int mdsize;
-    double tmpden;
-    int movemx=50;
-    particle[] one;
-    int id;
-    id=this.id;
-    mdsize = mymd.PARTSIZE;
-    one=new particle[mdsize];
-    l = mymd.LENGTH;
-    tmpden = den;
-    side = Math.pow((mdsize/tmpden),0.3333333);
-    rcoff = mm/4.0;
-
-    a = side/mm;
-    sideh = side*0.5;
-    hsq = h*h;
-    hsq2 = hsq*0.5;
-    npartm = mdsize - 1;
-    rcoffs = rcoff * rcoff;
-    tscale = 16.0 / (1.0 * mdsize - 1.0);
-    vaver = 1.13 * Math.sqrt(tref / 24.0);
-    vaverh = vaver * h;
-
-    /* Particle Generation */
-
-    xvelocity = 0.0;
-    yvelocity = 0.0;
-    zvelocity = 0.0;
-    ijk = 0;
-    init(one, mdsize);
-
-
-    /* Synchronise threads and start timer before MD simulation */
-
-
-    /* MD simulation */
-
-    for (int move=0;move<movemx;move++) {
-      /* move the particles and update velocities */
-      for (int i=0;i<mdsize;i++) {
-        one[i].domove(side,i);       
-      }
-
-
-      if(id==0) {
-        doinit(mdsize);
-      }
-
-      mymd.epot[id] = 0.0;
-      mymd.vir[id] = 0.0;
-      mymd.interacts[id] = 0;
-
-
-
-      /* compute forces */
-      for (int i=0+id;i<mdsize;i+=nthreads) {
-        MDWorker worker=new MDWorker(mdsize);
-        one[i].force(side,rcoff,mdsize,i,xx,yy,zz,mymd,worker); 
-      }
-
-
-      /* update force arrays */
-      if(id == 0) {
-        doinit2(mdsize);
-      }
-
-
-      /*scale forces, update velocities */
-      sum = 0.0;
-      for (int i=0;i<mdsize;i++) {
-        sum = sum + one[i].mkekin(hsq2,i);  
-      }
-
-      ekin = sum/hsq;
-
-      vel = 0.0;
-      count = 0.0;
-
-      /* average velocity */
-
-      for (int i=0;i<mdsize;i++) {
-        velt = one[i].velavg(vaverh,h);
-        if(velt > vaverh) { count = count + 1.0; }
-        vel = vel + velt;                    
-      }
-
-      vel = vel / h;
-
-      /* temperature scale if required */
-
-      if((move < istop) && (((move+1) % irep) == 0)) {
-        sc = Math.sqrt(tref / (tscale*ekin));
-        for (int i=0;i<mdsize;i++) {
-          one[i].dscal(sc,1);
-        }
-        ekin = tref / tscale;
-      }
-
-      /* sum to get full potential energy and virial */
-
-      if(((move+1) % iprint) == 0) {
-        mymd.ek[id] = 24.0*ekin;
-        mymd.epot[id] = 4.0*mymd.epot[id];
-        etot = mymd.ek[id] + mymd.epot[id];
-        temp = tscale * ekin;
-        pres = tmpden * 16.0 * (ekin - mymd.vir[id]) / mdsize;
-        vel = vel / mdsize; 
-        rp = (count / mdsize) * 100.0;
-      }
-
-      //if (id == 0) JGFInstrumentor.stopTimer("Section3:MolDyn:Run", instr.timers);
-    }
-  }
-}
-
-  class particle {
-
-    public double xcoord, ycoord, zcoord;
-    public double xvelocity,yvelocity,zvelocity;
-    int part_id;
-    int id;
-    double [][] sh_force;
-    double [][][] sh_force2;
-    particle[] one;
-
-    public particle(double xcoord, double ycoord, double zcoord, double xvelocity,
-        double yvelocity,double zvelocity, double [][] sh_force, 
-        double [][][] sh_force2,int id, particle[] one) {
-
-      this.xcoord = xcoord; 
-      this.ycoord = ycoord; 
-      this.zcoord = zcoord;
-      this.xvelocity = xvelocity;
-      this.yvelocity = yvelocity;
-      this.zvelocity = zvelocity;
-      this.sh_force = sh_force;
-      this.sh_force2 = sh_force2;
-      this.id=id;
-      this.one=one;
-    }
-
-    public void domove(double side,int part_id) {
-
-      xcoord = xcoord + xvelocity + sh_force[0][part_id];
-      ycoord = ycoord + yvelocity + sh_force[1][part_id];
-      zcoord = zcoord + zvelocity + sh_force[2][part_id];
-
-      if(xcoord < 0) { xcoord = xcoord + side; } 
-      if(xcoord > side) { xcoord = xcoord - side; }
-      if(ycoord < 0) { ycoord = ycoord + side; }
-      if(ycoord > side) { ycoord = ycoord - side; }
-      if(zcoord < 0) { zcoord = zcoord + side; }
-      if(zcoord > side) { zcoord = zcoord - side; }
-
-      xvelocity = xvelocity + sh_force[0][part_id];
-      yvelocity = yvelocity + sh_force[1][part_id];
-      zvelocity = zvelocity + sh_force[2][part_id];
-
-    }
-
-//    public void force(double side, double rcoff,int mdsize,int x, double xx, double yy, double zz, JGFMolDynBench mymd) {
-      public void force(double side, double rcoff,int mdsize,int x, double xx, double yy, double zz, JGFMolDynBench mymd, MDWorker worker) {
-
-      double sideh;
-      double rcoffs;
-
-      double fxi,fyi,fzi;
-      double rd,rrd,rrd2,rrd3,rrd4,rrd6,rrd7,r148;
-      double forcex,forcey,forcez;
-      int id=this.id;
-      sideh = 0.5*side; 
-      rcoffs = rcoff*rcoff;
-
-      fxi = 0.0;
-      fyi = 0.0;
-      fzi = 0.0;
-
-      for (int i=x+1;i<mdsize;i++) {
-        xx = this.xcoord - one[i].xcoord;
-        yy = this.ycoord - one[i].ycoord;
-        zz = this.zcoord - one[i].zcoord;
-
-        if(xx < (-sideh)) { xx = xx + side; }
-        if(xx > (sideh))  { xx = xx - side; }
-        if(yy < (-sideh)) { yy = yy + side; }
-        if(yy > (sideh))  { yy = yy - side; }
-        if(zz < (-sideh)) { zz = zz + side; }
-        if(zz > (sideh))  { zz = zz - side; }
-
-
-        rd = xx*xx + yy*yy + zz*zz;
-
-        if(rd <= rcoffs) {
-          rrd = 1.0/rd;
-          rrd2 = rrd*rrd;
-          rrd3 = rrd2*rrd;
-          rrd4 = rrd2*rrd2;
-          rrd6 = rrd2*rrd4;
-          rrd7 = rrd6*rrd;
-//          mymd.epot[id] += (rrd6 - rrd3);
-          worker.epot+=(rrd6 - rrd3);
-          r148 = rrd7 - 0.5*rrd4;
-//          mymd.vir[id] += - rd*r148;
-          worker.vir+= - rd*r148;
-          forcex = xx * r148;
-          fxi = fxi + forcex;
-
-//          sh_force2[0][id][i] = sh_force2[0][id][i] - forcex;
-          worker.sh_force2[0][i]=worker.sh_force2[0][i]-forcex;
-
-          forcey = yy * r148;
-          fyi = fyi + forcey;
-
-//          sh_force2[1][id][i] = sh_force2[1][id][i] - forcey;
-          worker.sh_force2[1][i]=worker.sh_force2[1][i]-forcex;
-
-          forcez = zz * r148;
-          fzi = fzi + forcez;
-
-//          sh_force2[2][id][i] = sh_force2[2][id][i] - forcez;
-          worker.sh_force2[2][i]=worker.sh_force2[2][i]-forcez;
-
-//          mymd.interacts[id]++;
-          worker.interacts++;
-        }
-
-      }
-
-//      sh_force2[0][id][x] = sh_force2[0][id][x] + fxi;
-//      sh_force2[1][id][x] = sh_force2[1][id][x] + fyi;
-//      sh_force2[2][id][x] = sh_force2[2][id][x] + fzi;
-      
-      worker.sh_force2[0][x]=worker.sh_force2[0][x]-fxi;
-      worker.sh_force2[1][x]=worker.sh_force2[1][x]-fyi;
-      worker.sh_force2[2][x]=worker.sh_force2[2][x]-fzi;
-
-    }
-
-    public double mkekin(double hsq2,int part_id) {
-
-      double sumt = 0.0; 
-
-      xvelocity = xvelocity + sh_force[0][part_id]; 
-      yvelocity = yvelocity + sh_force[1][part_id]; 
-      zvelocity = zvelocity + sh_force[2][part_id]; 
-
-      sumt = (xvelocity*xvelocity)+(yvelocity*yvelocity)+(zvelocity*zvelocity);
-      return sumt;
-    }
-
-    public double velavg(double vaverh,double h) {
-
-      double velt;
-      double sq;
-
-      sq = Math.sqrt(xvelocity*xvelocity + yvelocity*yvelocity +
-          zvelocity*zvelocity);
-
-      velt = sq;
-      return velt;
-    }
-
-    public void dscal(double sc,int incx) {
-      xvelocity = xvelocity * sc;
-      yvelocity = yvelocity * sc;   
-      zvelocity = zvelocity * sc;   
-    }
-  }
-
-  class random {
-
-    public int iseed;
-    public double v1,v2;
-
-    public random(int iseed,double v1,double v2) {
-      this.iseed = iseed;
-      this.v1 = v1;
-      this.v2 = v2;
-    }
-
-    public double update() {
-
-      double rand;
-      double scale= 4.656612875e-10;
-
-      int is1,is2,iss2;
-      int imult=16807;
-      int imod = 2147483647;
-
-      if (iseed<=0) { iseed = 1; }
-
-      is2 = iseed % 32768;
-      is1 = (iseed-is2)/32768;
-      iss2 = is2 * imult;
-      is2 = iss2 % 32768;
-      is1 = (is1*imult+(iss2-is2)/32768) % (65536);
-
-      iseed = (is1*32768+is2) % imod;
-
-      rand = scale * iseed;
-
-      return rand;
-
-    }
-
-    public double seed() {
-
-      double s,u1,u2,r;
-      s = 1.0;
-      do {
-        u1 = update();
-        u2 = update();
-
-        v1 = 2.0 * u1 - 1.0;
-        v2 = 2.0 * u2 - 1.0;
-        s = v1*v1 + v2*v2;
-
-      } while (s >= 1.0);
-
-      r = Math.sqrt(-2.0*Math.log(s)/s);
-
-      return r;
-
-    }
-  }
-
-
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeA.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeA.java
deleted file mode 100644 (file)
index 6143740..0000000
+++ /dev/null
@@ -1,75 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFMolDynBenchSizeA { 
-
-    public static void main(String argv[]){
-    int nthreads;
-    if(argv.length != 0 ) {
-      nthreads = Integer.parseInt(argv[0]);
-    } else {
-      System.printString("The no of threads has not been specified, defaulting to 1\n");
-      System.printString("  " + "\n");
-      nthreads = 1;
-    }
-
-    JGFInstrumentor instr = new JGFInstrumentor();
-    JGFInstrumentor.printHeader(3,0,nthreads);
-
-    JGFMolDynBench mold;
-    mold = new JGFMolDynBench(nthreads); 
-    int size = 0;
-    JGFInstrumentor.addTimer("Section3:MolDyn:Total", "Solutions",size, instr.timers);
-    JGFInstrumentor.addTimer("Section3:MolDyn:Run", "Interactions",size, instr.timers);
-
-    mold.JGFsetsize(size); 
-
-    JGFInstrumentor.startTimer("Section3:MolDyn:Total", instr.timers);
-
-    JGFMolDynBench tmp;
-    mold.JGFinitialise(); 
-    JGFMolDynBench.JGFapplication(mold); 
-
-    /* Validate data */
-    double[] refval = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dval;
-    dval = mold.ek[0].d;
-    double dev = Math.fabs(dval - refval[size]);
-    long l = (long) refval[size] *1000000;
-    long r = (long) dval * 1000000;
-    if (l != r ){
-      System.printString("Validation failed\n");
-      System.printString("Kinetic Energy = " + (long)dval + "  " + (long)dev + "  " + size + "\n");
-    }
-
-    JGFInstrumentor.stopTimer("Section3:MolDyn:Total", instr.timers);
-    double interactions;
-    interactions = mold.interactions;
-
-    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Run", (double) interactions, instr.timers);
-    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Total", 1, instr.timers);
-
-    JGFInstrumentor.printTimer("Section3:MolDyn:Run", instr.timers); 
-    JGFInstrumentor.printTimer("Section3:MolDyn:Total", instr.timers); 
-    System.printString("Finished\n");
-  }
-}
-
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeB.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeB.java
deleted file mode 100644 (file)
index d1d5ff2..0000000
+++ /dev/null
@@ -1,75 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFMolDynBenchSizeB { 
-
-    public static void main(String argv[]){
-    int nthreads;
-    if(argv.length != 0 ) {
-      nthreads = Integer.parseInt(argv[0]);
-    } else {
-      System.printString("The no of threads has not been specified, defaulting to 1\n");
-      System.printString("  " + "\n");
-      nthreads = 1;
-    }
-
-//    JGFInstrumentor instr = new JGFInstrumentor();
-//    JGFInstrumentor.printHeader(3,1,nthreads);
-
-    JGFMolDynBench mold;
-    mold = new JGFMolDynBench(nthreads); 
-    int size = 0;
-//    JGFInstrumentor.addTimer("Section3:MolDyn:Total", "Solutions",size, instr.timers);
-//    JGFInstrumentor.addTimer("Section3:MolDyn:Run", "Interactions",size, instr.timers);
-
-    mold.JGFsetsize(size); 
-
-//    JGFInstrumentor.startTimer("Section3:MolDyn:Total", instr.timers);
-
-    JGFMolDynBench tmp;
-    mold.JGFinitialise(); 
-    JGFMolDynBench.JGFapplication(mold); 
-
-    /* Validate data */
-    double[] refval = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dval;
-    dval = mold.ek[0];
-    double dev = Math.fabs(dval - refval[size]);
-    long l = (long) refval[size] *1000000;
-    long r = (long) dval * 1000000;
-    if (l != r ){
-      System.printString("Validation failed\n");
-      System.printString("Kinetic Energy = " + (long)dval + "  " + (long)dev + "  " + size + "\n");
-    }
-
-//    JGFInstrumentor.stopTimer("Section3:MolDyn:Total", instr.timers);
-    double interactions;
-    interactions = mold.interactions;
-
-//    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Run", (double) interactions, instr.timers);
-//    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Total", 1, instr.timers);
-
-//    JGFInstrumentor.printTimer("Section3:MolDyn:Run", instr.timers); 
-//    JGFInstrumentor.printTimer("Section3:MolDyn:Total", instr.timers); 
-//    System.printString("Finished\n");
-  }
-}
-
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeC.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFMolDynBenchSizeC.java
deleted file mode 100644 (file)
index 170dffb..0000000
+++ /dev/null
@@ -1,77 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFMolDynBenchSizeC { 
-
-    public static void main(String argv[]){
-    int nthreads;
-    if(argv.length != 0 ) {
-      nthreads = Integer.parseInt(argv[0]);
-    } else {
-      System.printString("The no of threads has not been specified, defaulting to 1\n");
-      System.printString("  " + "\n");
-      nthreads = 1;
-    }
-
-    JGFInstrumentor instr = new JGFInstrumentor();
-    JGFInstrumentor.printHeader(3,2,nthreads);
-
-    JGFMolDynBench mold;
-    mold = new JGFMolDynBench(nthreads); 
-    int size = 2;
-    JGFInstrumentor.addTimer("Section3:MolDyn:Total", "Solutions",size, instr.timers);
-    JGFInstrumentor.addTimer("Section3:MolDyn:Run", "Interactions",size, instr.timers);
-
-    mold.JGFsetsize(size); 
-
-    JGFInstrumentor.startTimer("Section3:MolDyn:Total", instr.timers);
-
-    JGFMolDynBench tmp;
-    mold.JGFinitialise(); 
-    JGFMolDynBench.JGFapplication(mold); 
-
-    /* Validate data */
-    /*
-    double[] refval = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dval;
-    dval = mold.ek[0].d;
-    double dev = Math.fabs(dval - refval[size]);
-    long l = (long) refval[size] *1000000;
-    long r = (long) dval * 1000000;
-    if (l != r ){
-      System.printString("Validation failed\n");
-      System.printString("Kinetic Energy = " + (long)dval + "  " + (long)dev + "  " + size + "\n");
-    }
-
-    JGFInstrumentor.stopTimer("Section3:MolDyn:Total", instr.timers);
-    double interactions;
-    interactions = mold.interactions;
-
-    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Run", (double) interactions, instr.timers);
-    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Total", 1, instr.timers);
-
-    JGFInstrumentor.printTimer("Section3:MolDyn:Run", instr.timers); 
-    JGFInstrumentor.printTimer("Section3:MolDyn:Total", instr.timers); 
-    */
-    System.printString("Finished\n");
-  }
-}
-
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFTimer.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/JGFTimer.java
deleted file mode 100644 (file)
index 4e1d168..0000000
+++ /dev/null
@@ -1,123 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 1999.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-
-public class JGFTimer {
-
-  public String name; 
-  public String opname; 
-  public double time; 
-  public double opcount; 
-  public long calls; 
-  public int size;
-
-  private long start_time;
-  private boolean on; 
-
-  public JGFTimer(String name, String opname){
-    this.size = -1;
-    this.name = name;
-    this.opname = opname;
-    reset(); 
-  }
-
-  public JGFTimer(String name, String opname, int size){
-    this.name = name;
-    this.opname = opname;
-    this.size = size;
-    reset();
-  }
-
-  public JGFTimer(String name){
-    this.name = name;
-    this.opname = "";
-    reset();
-  }
-
-
-
-  public void start(){
-    if (on) System.printString("Warning timer " + " was already turned on\n");
-    on = true; 
-    start_time = System.currentTimeMillis();
-  }
-
-
-  public void stop(){
-    time += (double) (System.currentTimeMillis()-start_time) / 1000.;
-    if (!on) System.printString("Warning timer " + " wasn't turned on\n");
-    calls++;
-    on = false;  
-  }
-
-  public void addops(double count){
-    opcount += count;
-  } 
-
-  public void addtime(double added_time){
-    time += added_time;
-  }
-
-  public void reset(){
-    time = 0.0; 
-    calls = 0; 
-    opcount = 0; 
-    on = false;
-  }
-
-  public double perf(){
-    return opcount / time; 
-  }
-
-  public void longprint(){
-    System.printString("Timer            Calls         Time(s)       Performance("+opname+"/s)\n");   
-    System.printString(name + "           " + calls +    "           "  +  (long)time + "        " + (long)this.perf() + "\n");
-  }
-
-  public void print(){
-    if (opname.equals("")) {
-      System.printString(name + "   " + (long)time + " (s)\n");
-    }
-    else {
-      if(size == 0) {
-        System.printString(name + ":SizeA" + "\t" + (long)time + " (s) \t " + (long)this.perf() + "\t" + " ("+opname+"/s)\n");
-      } else if (size == 1) {
-        System.printString(name + ":SizeB" + "\t" + (long)time + " (s) \t " + (long)this.perf() + "\t" + " ("+opname+"/s)\n");
-      } else if (size == 2) {
-        System.printString(name + ":SizeC" + "\t" + (long)time + " (s) \t " + (long)this.perf() + "\t" + " ("+opname+"/s)\n");
-      } else{
-        System.printString(name + "\t" + (long)time + " (s) \t " + (long)this.perf() + "\t" + " ("+opname+"/s)\n");
-      }
-    }
-  }
-
-
-  public void printperf(){
-
-    String name;
-    name = this.name; 
-
-    // pad name to 40 characters
-    while ( name.length() < 40 ) name = name + " "; 
-
-    System.printString(name + "\t" + (long)this.perf() + "\t"
-        + " ("+opname+"/s)\n");  
-  }
-
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/MDWorker.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/MDWorker.java
deleted file mode 100644 (file)
index c8e08a6..0000000
+++ /dev/null
@@ -1,12 +0,0 @@
-public class MDWorker {
-
-  int interacts;
-  double vir;
-  double epot;
-  double sh_force2[][];
-  
-  public MDWorker(int partsize) {
-    sh_force2=new double[3][partsize];
-  }
-
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/MDWrap.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/MDWrap.java
deleted file mode 100644 (file)
index 5c4ed74..0000000
+++ /dev/null
@@ -1,9 +0,0 @@
-public class MDWrap {
-    public mdRunner md;
-    public MDWrap() {
-    }
-
-    public MDWrap(mdRunner m) {
-       md=m;
-    }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup3/TournamentBarrier.java b/Robust/src/Benchmarks/oooJava/moldyn/backup3/TournamentBarrier.java
deleted file mode 100755 (executable)
index 96bf4f5..0000000
+++ /dev/null
@@ -1,96 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         *
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-
-// This implements a simple tournament-based barrier, using entirely its
-// own synchronisation. At present Yield() is called to stop busy-waiting
-// processes hogging the processor(s)!
-
-public class TournamentBarrier {
-  // Array of flags indicating whether the given process and all those
-  // for which it is responsible have finished. The "sense" of this
-  // array alternates with each barrier, to prevent having to
-  // reinitialise.
-  boolean[] IsDone;
-  public int maxBusyIter;
-  int numThreads;
-
-  public TournamentBarrier(int n) {
-    numThreads = n;
-    maxBusyIter = 1;
-    // Superclass constructor should record the number of threads
-    // and thread manager.
-    //super(n);
-
-    // Initialise the IsDone array. The choice of initial value is
-    // arbitrary, but must be consistent!
-    IsDone = new boolean[numThreads];
-    for(int i = 0; i < n; i++) {
-      IsDone[i] = false;
-    }
-  }
-
-  // Uses the manager's debug function, so this can only be used after
-  // construction!
-  public void debug(String s) {
-    //System.err.println("Debug message" + s);
-  }
-
-  /*
-  public void setMaxBusyIter(int b) {
-    maxBusyIter = b;
-  }
-  */
-
-  public void DoBarrier(int myid) {
-    int b;
-     //debug("Thread " + myid + " checking in");
-
-    int roundmask = 3;
-    boolean donevalue = !IsDone[myid];
-
-    while(((myid & roundmask) == 0) && (roundmask<(numThreads<<2))) {
-      int spacing = (roundmask+1) >> 2;
-      for(int i=1; i<=3 && myid+i*spacing < numThreads; i++) {
-         //debug("Thread " + myid + " waiting for thread " + (myid+i*spacing));
-        b = maxBusyIter;
-        while(IsDone[myid+i*spacing] != donevalue) {
-          b--;
-          if(b==0) {
-            //Thread.yield();
-            b = maxBusyIter;
-          }
-        }
-      }
-      roundmask = (roundmask << 2) + 3;
-    }
-     //debug("Thread " + myid + " reporting done");
-    IsDone[myid] = donevalue;
-    b = maxBusyIter;
-    while(IsDone[0] != donevalue) {
-      b--;
-      if(b==0) {
-        //Thread.yield();
-        b = maxBusyIter;
-      }
-    }
-    //debug("Thread " + myid + " checking out");
-
-  }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/Barrier.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/Barrier.java
deleted file mode 100644 (file)
index 590b3a6..0000000
+++ /dev/null
@@ -1,48 +0,0 @@
-public class Barrier {
-  int numthreads;
-  int entercount;
-  boolean cleared;
-
-  public Barrier(int n) {
-    numthreads=n;
-    cleared = false;
-  }
-
-  public Barrier() {
-
-  }
-
-  public void reset() {
-    cleared = false;
-    entercount = 0;
-  }
-
-  public static void enterBarrier(Barrier b) {
-    int tmp;
-    boolean retry=true;
-
-    do {
-      if (!b.cleared) {
-        b.entercount++;
-        tmp = b.entercount;
-        if (tmp==b.numthreads) {
-          if(b.numthreads > 1)
-            b.cleared=true;
-          b.entercount--;
-          return;
-        }
-        retry=false;
-      }
-    } while(retry);
-
-    while(true) {
-      if (b.cleared) {
-        b.entercount--;
-        int count = b.entercount;
-        if (count==0)
-          b.cleared=false;
-        return;
-      }
-    }
-  }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/DoubleWrapper.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/DoubleWrapper.java
deleted file mode 100644 (file)
index c0bd06d..0000000
+++ /dev/null
@@ -1,6 +0,0 @@
-public class DoubleWrapper {
-  public DoubleWrapper() {
-
-  }
-  double d;
-}
\ No newline at end of file
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/IntWrapper.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/IntWrapper.java
deleted file mode 100644 (file)
index 8bf875d..0000000
+++ /dev/null
@@ -1,6 +0,0 @@
-public class IntWrapper {
-  public IntWrapper() {
-
-  }
-  int i;
-}
\ No newline at end of file
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFInstrumentor.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFInstrumentor.java
deleted file mode 100644 (file)
index 80db828..0000000
+++ /dev/null
@@ -1,201 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 1999.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFInstrumentor{
-
-  protected HashMap timers;
-  protected HashMap data; 
-
-  public JGFInstrumentor() {
-    timers = new HashMap();
-    data = new HashMap(); 
-  }
-
-  public static void addTimer (String name, HashMap timers){
-
-    if (timers.containsKey(name)) {
-      System.printString("JGFInstrumentor.addTimer: warning -  timer " + name + 
-          " already exists\n");
-    }
-    else {
-      timers.put(name, new JGFTimer(name));
-    }
-  }
-
-  public static void addTimer (String name, String opname, HashMap timers){
-
-    if (timers.containsKey(name)) {
-      System.printString("JGFInstrumentor.addTimer: warning -  timer " + name + 
-          " already exists\n");
-    }
-    else {
-      timers.put(name, new JGFTimer(name,opname));
-    }
-
-  }
-
-  public static void addTimer (String name, String opname, int size, HashMap timers){
-
-    if (timers.containsKey(name)) {
-      System.printString("JGFInstrumentor.addTimer: warning -  timer " + name +
-          " already exists\n");
-    }
-    else {
-      timers.put(name, new JGFTimer(name,opname,size));
-    }
-
-  }
-
-  public static void startTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).start();
-    }
-    else {
-      System.printString("JGFInstrumentor.startTimer: failed -  timer " + name + 
-          " does not exist\n");
-    }
-
-  }
-
-  public static void stopTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).stop();
-    }
-    else {
-      System.printString("JGFInstrumentor.stopTimer: failed -  timer " + name + 
-          " does not exist\n");
-    }
-  }
-
-  public static void addOpsToTimer(String name, double count, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).addops(count);
-    }
-    else {
-      System.printString("JGFInstrumentor.addOpsToTimer: failed -  timer " + name + 
-          " does not exist\n");
-    }
-  }  
-
-  public static void addTimeToTimer(String name, double added_time, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).addtime(added_time);
-    }
-    else {
-      System.printString("JGFInstrumentor.addTimeToTimer: failed -  timer " + name +
-          " does not exist\n");
-    }
-
-
-
-  }
-
-  public static double readTimer(String name, HashMap timers){
-    double time; 
-    if (timers.containsKey(name)) {
-      time = ((JGFTimer) timers.get(name)).time;
-    }
-    else {
-      System.printString("JGFInstrumentor.readTimer: failed -  timer " + name + 
-          " does not exist\n");
-      time = 0.0; 
-    }
-    return time; 
-  }  
-
-  public static void resetTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).reset();
-    }
-    else {
-      System.printString("JGFInstrumentor.resetTimer: failed -  timer " + name +
-          " does not exist\n");
-    }
-  }
-
-  public static void printTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).print();
-    }
-    else {
-      System.printString("JGFInstrumentor.printTimer: failed -  timer " + name +
-          " does not exist\n");
-    }
-  }
-
-  public static void printperfTimer(String name, HashMap timers){
-    if (timers.containsKey(name)) {
-      ((JGFTimer) timers.get(name)).printperf();
-    }
-    else {
-      System.printString("JGFInstrumentor.printTimer: failed -  timer " + name +
-          " does not exist\n");
-    }
-  }
-
-  public static void storeData(String name, Object obj, HashMap data){
-    data.put(name,obj); 
-  }
-
-  public static void retrieveData(String name, Object obj, HashMap data){
-    obj = data.get(name); 
-  }
-
-  public static void printHeader(int section, int size,int nthreads) {
-
-    String header, base; 
-
-    header = "";
-    base = "Java Grande Forum Thread Benchmark Suite - Version 1.0 - Section "; 
-
-    if (section == 1)
-    {
-      header = base + "1";
-    }
-    else if (section == 2)
-    {
-      if (size == 0)
-        header = base + "2 - Size A";
-      else if (size == 1)
-        header = base + "2 - Size B";
-      else if (size == 2)
-        header = base + "2 - Size C";
-    }
-    else if (section == 3)
-    {
-      if (size == 0)
-        header = base + "3 - Size A";
-      else if (size == 1)
-        header = base + "3 - Size B";
-      else if (size == 2)
-        header = base + "3 - Size C";
-    }
-
-    System.printString(header + "\n"); 
-
-    if (nthreads == 1) {
-      System.printString("Executing on " + nthreads + " thread\n");
-    }
-    else {
-      System.printString("Executing on " + nthreads + " threads\n");
-    }
-
-    System.printString(" \n");
-  } 
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBench.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBench.java
deleted file mode 100644 (file)
index d7b6fb4..0000000
+++ /dev/null
@@ -1,692 +0,0 @@
-/**************************************************************************
- * * Java Grande Forum Benchmark Suite - Thread Version 1.0 * * produced by * *
- * Java Grande Benchmarking Project * * at * * Edinburgh Parallel Computing
- * Centre * * email: epcc-javagrande@epcc.ed.ac.uk * * * This version copyright
- * (c) The University of Edinburgh, 2001. * All rights reserved. * *
- **************************************************************************/
-public class JGFMolDynBench {
-  public int ITERS;
-  public double LENGTH;
-  public double m;
-  public double mu;
-  public double kb;
-  public double TSIM;
-  public double deltat;
-
-  public int PARTSIZE;
-
-  public double[] epot;
-  public double[] vir;
-  public double[] ek;
-
-  int size, mm;
-  int[] datasizes;
-
-  public int interactions;
-  public int[] interacts;
-
-  public int nthreads;
-  public JGFInstrumentor instr;
-  public int workload;
-
-  public JGFMolDynBench(int nthreads,int workload) {
-    this.nthreads = nthreads;
-    this.workload=workload;
-  }
-
-  public void JGFsetsize(int size) {
-    this.size = size;
-  }
-
-  public void JGFinitialise() {
-    interactions = 0;
-    datasizes = new int[3];
-    datasizes[0] = 8;
-    datasizes[1] = 13;
-    datasizes[2] = 11;
-
-    mm = datasizes[size];
-    PARTSIZE = mm * mm * mm * 4;
-    ITERS = 100;
-    LENGTH = 50e-10;
-    m = 4.0026;
-    mu = 1.66056e-27;
-    kb = 1.38066e-23;
-    TSIM = 50;
-    deltat = 5e-16;
-  }
-
-  public static void JGFapplication(JGFMolDynBench mold) {
-    double sh_force[][];
-    double sh_force2[][][];
-    int partsize, numthreads;
-    partsize = mold.PARTSIZE;
-    numthreads = mold.nthreads;
-
-    sh_force = new double[3][partsize];
-    sh_force2 = new double[3][numthreads][partsize];
-    mold.epot = new double[numthreads];
-    mold.vir = new double[numthreads];
-    mold.ek = new double[numthreads];
-    mold.interacts = new int[numthreads];
-    // for(int i=0;i<numthreads;i++) {
-    // mold.epot[i]=new double();
-    // mold.vir[i]=new double();
-    // mold.ek[i]=new double();
-    // mold.interacts[i]=new IntWrapper();
-    // }
-
-    // spawn threads
-    MDWrap[] thobjects = new MDWrap[numthreads];
-
-    for (int i = 0; i < numthreads; i++) {
-      thobjects[i] = new MDWrap(new mdRunner(i, mold.mm, sh_force, sh_force2, mold.nthreads, mold,mold.workload));
-    }
-
-    /*
-     * boolean waitfordone=true; while(waitfordone) { if (mybarr.done)
-     * waitfordone=false; }
-     */
-
-    for (int i = 0; i < numthreads; i++) {
-      // thobjects[i].md.start(mid[i]);
-      thobjects[i].md.run();
-    }
-  }
-
-  public void JGFvalidate() {
-    double[] refval = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dev = Math.fabs(ek[0] - refval[size]);
-    if (dev > 1.0e-10) {
-      // System.printString("Validation failed\n");
-      // System.printString("Kinetic Energy = " + (long)ek[0] + "  " + (long)dev
-      // + "  " + size + "\n");
-    }
-  }
-}
-
-class mdRunner {
-
-  double count;
-  int id, i, j, k, lg, mm;
-  double l, rcoff, rcoffs, side, sideh, hsq, hsq2, vel, velt;
-  double a, r, sum, tscale, sc, ekin, ts, sp;
-  double den;
-  double tref;
-  double h;
-  double vaver, vaverh, rand;
-  double etot, temp, pres, rp;
-  double u1, u2, s, xx, yy, zz;
-  double xvelocity, yvelocity, zvelocity;
-
-  double[][] sh_force;
-  double[][][] sh_force2;
-
-  int ijk, npartm, iseed, tint;
-  int irep;
-  int istop;
-  int iprint;
-
-  JGFMolDynBench mymd;
-  int nthreads;
-  int workload;
-
-  public mdRunner(int id, int mm, double[][] sh_force, double[][][] sh_force2, int nthreads,
-      JGFMolDynBench mymd, int workload) {
-    this.id = id;
-    this.mm = mm;
-    this.sh_force = sh_force;
-    this.sh_force2 = sh_force2;
-    this.nthreads = nthreads;
-    this.mymd = mymd;
-    count = 0.0;
-    den = 0.83134;
-    tref = 0.722;
-    h = 0.064;
-    irep = 10;
-    istop = 19;
-    iprint = 10;
-    this.workload=workload;
-  }
-
-  public void init(particle[] one, int mdsize) {
-    int id = this.id;
-    for (int lg = 0; lg <= 1; lg++) {
-      for (int i = 0; i < mm; i++) {
-        for (int j = 0; j < mm; j++) {
-          for (int k = 0; k < mm; k++) {
-            one[ijk] =
-                new particle((i * a + lg * a * 0.5), (j * a + lg * a * 0.5), (k * a), xvelocity,
-                    yvelocity, zvelocity, sh_force, sh_force2, id, one);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-
-    for (int lg = 1; lg <= 2; lg++) {
-      for (int i = 0; i < mm; i++) {
-        for (int j = 0; j < mm; j++) {
-          for (int k = 0; k < mm; k++) {
-            one[ijk] =
-                new particle((i * a + (2 - lg) * a * 0.5), (j * a + (lg - 1) * a * 0.5),
-                    (k * a + a * 0.5), xvelocity, yvelocity, zvelocity, sh_force, sh_force2, id,
-                    one);
-            ijk = ijk + 1;
-          }
-        }
-      }
-    }
-
-    /* Initialise velocities */
-
-    iseed = 0;
-    double v1 = 0.0;
-    double v2 = 0.0;
-    random randnum = new random(iseed, v1, v2);
-
-    for (int i = 0; i < mdsize; i += 2) {
-      r = randnum.seed();
-      one[i].xvelocity = r * randnum.v1;
-      one[i + 1].xvelocity = r * randnum.v2;
-    }
-
-    for (int i = 0; i < mdsize; i += 2) {
-      r = randnum.seed();
-      one[i].yvelocity = r * randnum.v1;
-      one[i + 1].yvelocity = r * randnum.v2;
-    }
-
-    for (int i = 0; i < mdsize; i += 2) {
-      r = randnum.seed();
-      one[i].zvelocity = r * randnum.v1;
-      one[i + 1].zvelocity = r * randnum.v2;
-    }
-
-    /* velocity scaling */
-
-    ekin = 0.0;
-    sp = 0.0;
-
-    for (int i = 0; i < mdsize; i++) {
-      sp = sp + one[i].xvelocity;
-    }
-    sp = sp / mdsize;
-
-    for (int i = 0; i < mdsize; i++) {
-      one[i].xvelocity = one[i].xvelocity - sp;
-      ekin = ekin + one[i].xvelocity * one[i].xvelocity;
-    }
-
-    sp = 0.0;
-    for (int i = 0; i < mdsize; i++) {
-      sp = sp + one[i].yvelocity;
-    }
-    sp = sp / mdsize;
-
-    for (int i = 0; i < mdsize; i++) {
-      one[i].yvelocity = one[i].yvelocity - sp;
-      ekin = ekin + one[i].yvelocity * one[i].yvelocity;
-    }
-
-    sp = 0.0;
-    for (int i = 0; i < mdsize; i++) {
-      sp = sp + one[i].zvelocity;
-    }
-    sp = sp / mdsize;
-
-    for (int i = 0; i < mdsize; i++) {
-      one[i].zvelocity = one[i].zvelocity - sp;
-      ekin = ekin + one[i].zvelocity * one[i].zvelocity;
-    }
-
-    ts = tscale * ekin;
-    sc = h * Math.sqrt(tref / ts);
-
-    for (int i = 0; i < mdsize; i++) {
-
-      one[i].xvelocity = one[i].xvelocity * sc;
-      one[i].yvelocity = one[i].yvelocity * sc;
-      one[i].zvelocity = one[i].zvelocity * sc;
-
-    }
-
-  }
-
-  public void doinit(int mdsize) {
-    for (int j = 0; j < 3; j++) {
-      double[] sh = sh_force[j];
-      for (int i = 0; i < mdsize; i++) {
-        sh[i] = 0.0;
-      }
-    }
-  }
-
-  public void doinit2(int mdsize) {
-    for (int k = 0; k < 3; k++) {
-      double[] sh = sh_force[k];
-      double[][] sha = sh_force2[k];
-      for (int j = 0; j < nthreads; j++) {
-        double[] sha2 = sha[j];
-        for (int i = 0; i < mdsize; i++) {
-          sh[i] += sha2[i];
-        }
-      }
-    }
-
-    for (int k = 0; k < 3; k++) {
-      double[][] sh1 = sh_force2[k];
-      for (int j = 0; j < nthreads; j++) {
-        double[] sh2 = sh1[j];
-        for (int i = 0; i < mdsize; i++) {
-
-          sh2[i] = 0.0;
-        }
-      }
-    }
-
-    for (int j = 1; j < nthreads; j++) {
-      mymd.epot[0] += mymd.epot[j];
-      mymd.vir[0] += mymd.vir[j];
-    }
-    for (int j = 1; j < nthreads; j++) {
-      mymd.epot[j] = mymd.epot[0];
-      mymd.vir[j] = mymd.vir[0];
-    }
-    for (int j = 0; j < nthreads; j++) {
-      mymd.interactions += mymd.interacts[j];
-    }
-
-    for (int j = 0; j < 3; j++) {
-      double sh[] = sh_force[j];
-      for (int i = 0; i < mdsize; i++) {
-        sh[i] = sh[i] * hsq2;
-      }
-    }
-  }
-
-  public void run() {
-    /* Parameter determination */
-
-    int mdsize;
-    double tmpden;
-    int movemx = 50;
-    particle[] one;
-    int id;
-    id = this.id;
-    mdsize = mymd.PARTSIZE;
-    one = new particle[mdsize];
-    l = mymd.LENGTH;
-    tmpden = den;
-    side = Math.pow((mdsize / tmpden), 0.3333333);
-    rcoff = mm / 4.0;
-
-    a = side / mm;
-    sideh = side * 0.5;
-    hsq = h * h;
-    hsq2 = hsq * 0.5;
-    npartm = mdsize - 1;
-    rcoffs = rcoff * rcoff;
-    tscale = 16.0 / (1.0 * mdsize - 1.0);
-    vaver = 1.13 * Math.sqrt(tref / 24.0);
-    vaverh = vaver * h;
-
-    /* Particle Generation */
-
-    xvelocity = 0.0;
-    yvelocity = 0.0;
-    zvelocity = 0.0;
-    ijk = 0;
-    init(one, mdsize);
-
-    /* Synchronise threads and start timer before MD simulation */
-
-    /* MD simulation */
-
-    for (int move = 0; move < movemx; move++) {
-      /* move the particles and update velocities */
-      for (int i = 0; i < mdsize; i++) {
-        one[i].domove(side, i);
-      }
-
-      if (id == 0) {
-        doinit(mdsize);
-      }
-
-      mymd.epot[id] = 0.0;
-      mymd.vir[id] = 0.0;
-      mymd.interacts[id] = 0;
-
-      /* compute forces */
-      int numThread = nthreads;
-      int lworkload = workload;
-      // for (int i=0+id;i<mdsize;i+=numThread) {
-      for (int i = 0 ; i < mdsize; i += lworkload) {
-
-        int ilow = i;
-        int iupper = i + lworkload;
-        if (iupper > mdsize) {
-          iupper = mdsize;
-        }
-        int l_size = iupper - ilow;
-
-        sese parallel{
-          MDWorker worker = new MDWorker(mdsize);
-          for(int idx=ilow;idx<iupper;idx++){
-//            one[i].force(side, rcoff, mdsize, i, xx, yy, zz, mymd, worker);
-            one[idx].force(side, rcoff, mdsize, idx, xx, yy, zz, mymd, worker);
-          }
-        }
-
-        sese serial{
-          for (int k = 0; k < 3; k++) {
-            for (int j = 0; j < mdsize; j++) {
-              sh_force[k][j] += worker.sh_force2[k][j];
-            }
-          }
-          mymd.epot[0] += worker.epot;
-          mymd.vir[0] += worker.vir;
-          mymd.interactions += worker.interacts;
-        }
-
-      }
-
-      for (int k = 0; k < 3; k++) {
-        for (int j = 0; j < mdsize; j++) {
-          sh_force[k][j] = sh_force[k][j] * hsq2;
-        }
-      }
-
-      /* update force arrays */
-      // if(id == 0) {
-      // doinit2(mdsize);
-      // }
-
-      /* scale forces, update velocities */
-      sum = 0.0;
-      for (int i = 0; i < mdsize; i++) {
-        sum = sum + one[i].mkekin(hsq2, i);
-      }
-
-      ekin = sum / hsq;
-
-      vel = 0.0;
-      count = 0.0;
-
-      /* average velocity */
-
-      for (int i = 0; i < mdsize; i++) {
-        velt = one[i].velavg(vaverh, h);
-        if (velt > vaverh) {
-          count = count + 1.0;
-        }
-        vel = vel + velt;
-      }
-
-      vel = vel / h;
-
-      /* temperature scale if required */
-
-      if ((move < istop) && (((move + 1) % irep) == 0)) {
-        sc = Math.sqrt(tref / (tscale * ekin));
-        for (int i = 0; i < mdsize; i++) {
-          one[i].dscal(sc, 1);
-        }
-        ekin = tref / tscale;
-      }
-
-      /* sum to get full potential energy and virial */
-
-      if (((move + 1) % iprint) == 0) {
-        mymd.ek[id] = 24.0 * ekin;
-        mymd.epot[id] = 4.0 * mymd.epot[id];
-        etot = mymd.ek[id] + mymd.epot[id];
-        temp = tscale * ekin;
-        pres = tmpden * 16.0 * (ekin - mymd.vir[id]) / mdsize;
-        vel = vel / mdsize;
-        rp = (count / mdsize) * 100.0;
-      }
-
-      // if (id == 0) JGFInstrumentor.stopTimer("Section3:MolDyn:Run",
-      // instr.timers);
-    }
-  }
-}
-
-class particle {
-
-  public double xcoord, ycoord, zcoord;
-  public double xvelocity, yvelocity, zvelocity;
-  int part_id;
-  int id;
-  double[][] sh_force;
-  double[][][] sh_force2;
-  particle[] one;
-
-  public particle(double xcoord, double ycoord, double zcoord, double xvelocity, double yvelocity,
-      double zvelocity, double[][] sh_force, double[][][] sh_force2, int id, particle[] one) {
-
-    this.xcoord = xcoord;
-    this.ycoord = ycoord;
-    this.zcoord = zcoord;
-    this.xvelocity = xvelocity;
-    this.yvelocity = yvelocity;
-    this.zvelocity = zvelocity;
-    this.sh_force = sh_force;
-    this.sh_force2 = sh_force2;
-    this.id = id;
-    this.one = one;
-  }
-
-  public void domove(double side, int part_id) {
-
-    xcoord = xcoord + xvelocity + sh_force[0][part_id];
-    ycoord = ycoord + yvelocity + sh_force[1][part_id];
-    zcoord = zcoord + zvelocity + sh_force[2][part_id];
-
-    if (xcoord < 0) {
-      xcoord = xcoord + side;
-    }
-    if (xcoord > side) {
-      xcoord = xcoord - side;
-    }
-    if (ycoord < 0) {
-      ycoord = ycoord + side;
-    }
-    if (ycoord > side) {
-      ycoord = ycoord - side;
-    }
-    if (zcoord < 0) {
-      zcoord = zcoord + side;
-    }
-    if (zcoord > side) {
-      zcoord = zcoord - side;
-    }
-
-    xvelocity = xvelocity + sh_force[0][part_id];
-    yvelocity = yvelocity + sh_force[1][part_id];
-    zvelocity = zvelocity + sh_force[2][part_id];
-
-  }
-
-  // public void force(double side, double rcoff,int mdsize,int x, double xx,
-  // double yy, double zz, JGFMolDynBench mymd) {
-  public void force(double side, double rcoff, int mdsize, int x, double xx, double yy, double zz,
-      JGFMolDynBench mymd, MDWorker worker) {
-
-    double sideh;
-    double rcoffs;
-
-    double fxi, fyi, fzi;
-    double rd, rrd, rrd2, rrd3, rrd4, rrd6, rrd7, r148;
-    double forcex, forcey, forcez;
-    int id = this.id;
-    sideh = 0.5 * side;
-    rcoffs = rcoff * rcoff;
-
-    fxi = 0.0;
-    fyi = 0.0;
-    fzi = 0.0;
-
-    for (int i = x + 1; i < mdsize; i++) {
-      xx = this.xcoord - one[i].xcoord;
-      yy = this.ycoord - one[i].ycoord;
-      zz = this.zcoord - one[i].zcoord;
-
-      if (xx < (-sideh)) {
-        xx = xx + side;
-      }
-      if (xx > (sideh)) {
-        xx = xx - side;
-      }
-      if (yy < (-sideh)) {
-        yy = yy + side;
-      }
-      if (yy > (sideh)) {
-        yy = yy - side;
-      }
-      if (zz < (-sideh)) {
-        zz = zz + side;
-      }
-      if (zz > (sideh)) {
-        zz = zz - side;
-      }
-
-      rd = xx * xx + yy * yy + zz * zz;
-
-      if (rd <= rcoffs) {
-        rrd = 1.0 / rd;
-        rrd2 = rrd * rrd;
-        rrd3 = rrd2 * rrd;
-        rrd4 = rrd2 * rrd2;
-        rrd6 = rrd2 * rrd4;
-        rrd7 = rrd6 * rrd;
-        // mymd.epot[id] += (rrd6 - rrd3);
-        worker.epot += (rrd6 - rrd3);
-        r148 = rrd7 - 0.5 * rrd4;
-        // mymd.vir[id] += - rd*r148;
-        worker.vir += -rd * r148;
-        forcex = xx * r148;
-        fxi = fxi + forcex;
-
-        // sh_force2[0][id][i] = sh_force2[0][id][i] - forcex;
-        worker.sh_force2[0][i] = worker.sh_force2[0][i] - forcex;
-
-        forcey = yy * r148;
-        fyi = fyi + forcey;
-
-        // sh_force2[1][id][i] = sh_force2[1][id][i] - forcey;
-        worker.sh_force2[1][i] = worker.sh_force2[1][i] - forcey;
-
-        forcez = zz * r148;
-        fzi = fzi + forcez;
-
-        // sh_force2[2][id][i] = sh_force2[2][id][i] - forcez;
-        worker.sh_force2[2][i] = worker.sh_force2[2][i] - forcez;
-
-        // mymd.interacts[id]++;
-        worker.interacts++;
-      }
-
-    }
-
-    // sh_force2[0][id][x] = sh_force2[0][id][x] + fxi;
-    // sh_force2[1][id][x] = sh_force2[1][id][x] + fyi;
-    // sh_force2[2][id][x] = sh_force2[2][id][x] + fzi;
-
-    worker.sh_force2[0][x] = worker.sh_force2[0][x] + fxi;
-    worker.sh_force2[1][x] = worker.sh_force2[1][x] + fyi;
-    worker.sh_force2[2][x] = worker.sh_force2[2][x] + fzi;
-
-  }
-
-  public double mkekin(double hsq2, int part_id) {
-
-    double sumt = 0.0;
-
-    xvelocity = xvelocity + sh_force[0][part_id];
-    yvelocity = yvelocity + sh_force[1][part_id];
-    zvelocity = zvelocity + sh_force[2][part_id];
-
-    sumt = (xvelocity * xvelocity) + (yvelocity * yvelocity) + (zvelocity * zvelocity);
-    return sumt;
-  }
-
-  public double velavg(double vaverh, double h) {
-
-    double velt;
-    double sq;
-
-    sq = Math.sqrt(xvelocity * xvelocity + yvelocity * yvelocity + zvelocity * zvelocity);
-
-    velt = sq;
-    return velt;
-  }
-
-  public void dscal(double sc, int incx) {
-    xvelocity = xvelocity * sc;
-    yvelocity = yvelocity * sc;
-    zvelocity = zvelocity * sc;
-  }
-}
-
-class random {
-
-  public int iseed;
-  public double v1, v2;
-
-  public random(int iseed, double v1, double v2) {
-    this.iseed = iseed;
-    this.v1 = v1;
-    this.v2 = v2;
-  }
-
-  public double update() {
-
-    double rand;
-    double scale = 4.656612875e-10;
-
-    int is1, is2, iss2;
-    int imult = 16807;
-    int imod = 2147483647;
-
-    if (iseed <= 0) {
-      iseed = 1;
-    }
-
-    is2 = iseed % 32768;
-    is1 = (iseed - is2) / 32768;
-    iss2 = is2 * imult;
-    is2 = iss2 % 32768;
-    is1 = (is1 * imult + (iss2 - is2) / 32768) % (65536);
-
-    iseed = (is1 * 32768 + is2) % imod;
-
-    rand = scale * iseed;
-
-    return rand;
-
-  }
-
-  public double seed() {
-
-    double s, u1, u2, r;
-    s = 1.0;
-    do {
-      u1 = update();
-      u2 = update();
-
-      v1 = 2.0 * u1 - 1.0;
-      v2 = 2.0 * u2 - 1.0;
-      s = v1 * v1 + v2 * v2;
-
-    } while (s >= 1.0);
-
-    r = Math.sqrt(-2.0 * Math.log(s) / s);
-
-    return r;
-
-  }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeA.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeA.java
deleted file mode 100644 (file)
index 6143740..0000000
+++ /dev/null
@@ -1,75 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFMolDynBenchSizeA { 
-
-    public static void main(String argv[]){
-    int nthreads;
-    if(argv.length != 0 ) {
-      nthreads = Integer.parseInt(argv[0]);
-    } else {
-      System.printString("The no of threads has not been specified, defaulting to 1\n");
-      System.printString("  " + "\n");
-      nthreads = 1;
-    }
-
-    JGFInstrumentor instr = new JGFInstrumentor();
-    JGFInstrumentor.printHeader(3,0,nthreads);
-
-    JGFMolDynBench mold;
-    mold = new JGFMolDynBench(nthreads); 
-    int size = 0;
-    JGFInstrumentor.addTimer("Section3:MolDyn:Total", "Solutions",size, instr.timers);
-    JGFInstrumentor.addTimer("Section3:MolDyn:Run", "Interactions",size, instr.timers);
-
-    mold.JGFsetsize(size); 
-
-    JGFInstrumentor.startTimer("Section3:MolDyn:Total", instr.timers);
-
-    JGFMolDynBench tmp;
-    mold.JGFinitialise(); 
-    JGFMolDynBench.JGFapplication(mold); 
-
-    /* Validate data */
-    double[] refval = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dval;
-    dval = mold.ek[0].d;
-    double dev = Math.fabs(dval - refval[size]);
-    long l = (long) refval[size] *1000000;
-    long r = (long) dval * 1000000;
-    if (l != r ){
-      System.printString("Validation failed\n");
-      System.printString("Kinetic Energy = " + (long)dval + "  " + (long)dev + "  " + size + "\n");
-    }
-
-    JGFInstrumentor.stopTimer("Section3:MolDyn:Total", instr.timers);
-    double interactions;
-    interactions = mold.interactions;
-
-    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Run", (double) interactions, instr.timers);
-    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Total", 1, instr.timers);
-
-    JGFInstrumentor.printTimer("Section3:MolDyn:Run", instr.timers); 
-    JGFInstrumentor.printTimer("Section3:MolDyn:Total", instr.timers); 
-    System.printString("Finished\n");
-  }
-}
-
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeB.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeB.java
deleted file mode 100644 (file)
index c4e710f..0000000
+++ /dev/null
@@ -1,77 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFMolDynBenchSizeB { 
-
-    public static void main(String argv[]){
-    int nthreads;
-    int workload;
-    if(argv.length != 0 ) {
-      nthreads = Integer.parseInt(argv[0]);
-      workload=Integer.parseInt(argv[1]);
-    } else {
-      System.printString("The no of threads has not been specified, defaulting to 1\n");
-      System.printString("  " + "\n");
-      nthreads = 1;
-    }
-
-//    JGFInstrumentor instr = new JGFInstrumentor();
-//    JGFInstrumentor.printHeader(3,1,nthreads);
-
-    JGFMolDynBench mold;
-    mold = new JGFMolDynBench(nthreads,workload); 
-    int size = 1;
-//    JGFInstrumentor.addTimer("Section3:MolDyn:Total", "Solutions",size, instr.timers);
-//    JGFInstrumentor.addTimer("Section3:MolDyn:Run", "Interactions",size, instr.timers);
-
-    mold.JGFsetsize(size); 
-
-//    JGFInstrumentor.startTimer("Section3:MolDyn:Total", instr.timers);
-
-    JGFMolDynBench tmp;
-    mold.JGFinitialise(); 
-    JGFMolDynBench.JGFapplication(mold); 
-
-    /* Validate data */
-    double[] refval = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dval;
-    dval = mold.ek[0];
-    double dev = Math.fabs(dval - refval[size]);
-    long l = (long) refval[size] *1000000;
-    long r = (long) dval * 1000000;
-    if (l != r ){
-      System.printString("Validation failed\n");
-      System.printString("Kinetic Energy = " + (long)dval + "  " + (long)dev + "  " + size + "\n");
-    }
-
-//    JGFInstrumentor.stopTimer("Section3:MolDyn:Total", instr.timers);
-    double interactions;
-    interactions = mold.interactions;
-
-//    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Run", (double) interactions, instr.timers);
-//    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Total", 1, instr.timers);
-
-//    JGFInstrumentor.printTimer("Section3:MolDyn:Run", instr.timers); 
-//    JGFInstrumentor.printTimer("Section3:MolDyn:Total", instr.timers); 
-//    System.printString("Finished\n");
-  }
-}
-
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeC.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFMolDynBenchSizeC.java
deleted file mode 100644 (file)
index 170dffb..0000000
+++ /dev/null
@@ -1,77 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-public class JGFMolDynBenchSizeC { 
-
-    public static void main(String argv[]){
-    int nthreads;
-    if(argv.length != 0 ) {
-      nthreads = Integer.parseInt(argv[0]);
-    } else {
-      System.printString("The no of threads has not been specified, defaulting to 1\n");
-      System.printString("  " + "\n");
-      nthreads = 1;
-    }
-
-    JGFInstrumentor instr = new JGFInstrumentor();
-    JGFInstrumentor.printHeader(3,2,nthreads);
-
-    JGFMolDynBench mold;
-    mold = new JGFMolDynBench(nthreads); 
-    int size = 2;
-    JGFInstrumentor.addTimer("Section3:MolDyn:Total", "Solutions",size, instr.timers);
-    JGFInstrumentor.addTimer("Section3:MolDyn:Run", "Interactions",size, instr.timers);
-
-    mold.JGFsetsize(size); 
-
-    JGFInstrumentor.startTimer("Section3:MolDyn:Total", instr.timers);
-
-    JGFMolDynBench tmp;
-    mold.JGFinitialise(); 
-    JGFMolDynBench.JGFapplication(mold); 
-
-    /* Validate data */
-    /*
-    double[] refval = new double[2];
-    refval[0] = 1731.4306625334357;
-    refval[1] = 7397.392307839352;
-    double dval;
-    dval = mold.ek[0].d;
-    double dev = Math.fabs(dval - refval[size]);
-    long l = (long) refval[size] *1000000;
-    long r = (long) dval * 1000000;
-    if (l != r ){
-      System.printString("Validation failed\n");
-      System.printString("Kinetic Energy = " + (long)dval + "  " + (long)dev + "  " + size + "\n");
-    }
-
-    JGFInstrumentor.stopTimer("Section3:MolDyn:Total", instr.timers);
-    double interactions;
-    interactions = mold.interactions;
-
-    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Run", (double) interactions, instr.timers);
-    JGFInstrumentor.addOpsToTimer("Section3:MolDyn:Total", 1, instr.timers);
-
-    JGFInstrumentor.printTimer("Section3:MolDyn:Run", instr.timers); 
-    JGFInstrumentor.printTimer("Section3:MolDyn:Total", instr.timers); 
-    */
-    System.printString("Finished\n");
-  }
-}
-
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFTimer.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/JGFTimer.java
deleted file mode 100644 (file)
index 4e1d168..0000000
+++ /dev/null
@@ -1,123 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         * 
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 1999.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-
-public class JGFTimer {
-
-  public String name; 
-  public String opname; 
-  public double time; 
-  public double opcount; 
-  public long calls; 
-  public int size;
-
-  private long start_time;
-  private boolean on; 
-
-  public JGFTimer(String name, String opname){
-    this.size = -1;
-    this.name = name;
-    this.opname = opname;
-    reset(); 
-  }
-
-  public JGFTimer(String name, String opname, int size){
-    this.name = name;
-    this.opname = opname;
-    this.size = size;
-    reset();
-  }
-
-  public JGFTimer(String name){
-    this.name = name;
-    this.opname = "";
-    reset();
-  }
-
-
-
-  public void start(){
-    if (on) System.printString("Warning timer " + " was already turned on\n");
-    on = true; 
-    start_time = System.currentTimeMillis();
-  }
-
-
-  public void stop(){
-    time += (double) (System.currentTimeMillis()-start_time) / 1000.;
-    if (!on) System.printString("Warning timer " + " wasn't turned on\n");
-    calls++;
-    on = false;  
-  }
-
-  public void addops(double count){
-    opcount += count;
-  } 
-
-  public void addtime(double added_time){
-    time += added_time;
-  }
-
-  public void reset(){
-    time = 0.0; 
-    calls = 0; 
-    opcount = 0; 
-    on = false;
-  }
-
-  public double perf(){
-    return opcount / time; 
-  }
-
-  public void longprint(){
-    System.printString("Timer            Calls         Time(s)       Performance("+opname+"/s)\n");   
-    System.printString(name + "           " + calls +    "           "  +  (long)time + "        " + (long)this.perf() + "\n");
-  }
-
-  public void print(){
-    if (opname.equals("")) {
-      System.printString(name + "   " + (long)time + " (s)\n");
-    }
-    else {
-      if(size == 0) {
-        System.printString(name + ":SizeA" + "\t" + (long)time + " (s) \t " + (long)this.perf() + "\t" + " ("+opname+"/s)\n");
-      } else if (size == 1) {
-        System.printString(name + ":SizeB" + "\t" + (long)time + " (s) \t " + (long)this.perf() + "\t" + " ("+opname+"/s)\n");
-      } else if (size == 2) {
-        System.printString(name + ":SizeC" + "\t" + (long)time + " (s) \t " + (long)this.perf() + "\t" + " ("+opname+"/s)\n");
-      } else{
-        System.printString(name + "\t" + (long)time + " (s) \t " + (long)this.perf() + "\t" + " ("+opname+"/s)\n");
-      }
-    }
-  }
-
-
-  public void printperf(){
-
-    String name;
-    name = this.name; 
-
-    // pad name to 40 characters
-    while ( name.length() < 40 ) name = name + " "; 
-
-    System.printString(name + "\t" + (long)this.perf() + "\t"
-        + " ("+opname+"/s)\n");  
-  }
-
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/MDWorker.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/MDWorker.java
deleted file mode 100644 (file)
index ba579f3..0000000
+++ /dev/null
@@ -1,17 +0,0 @@
-public class MDWorker {
-
-  int interacts;
-  double vir;
-  double epot;
-  double sh_force2[][];
-  
-  public MDWorker(int partsize) {
-    sh_force2=new double[3][partsize];
-//    for(int i=0;i<3;i++){
-//      for(int j=0;j<partsize;j++){
-//        sh_force2[i][j]=0;
-//      }
-//    }
-  }
-
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/MDWrap.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/MDWrap.java
deleted file mode 100644 (file)
index 5c4ed74..0000000
+++ /dev/null
@@ -1,9 +0,0 @@
-public class MDWrap {
-    public mdRunner md;
-    public MDWrap() {
-    }
-
-    public MDWrap(mdRunner m) {
-       md=m;
-    }
-}
diff --git a/Robust/src/Benchmarks/oooJava/moldyn/backup_working/TournamentBarrier.java b/Robust/src/Benchmarks/oooJava/moldyn/backup_working/TournamentBarrier.java
deleted file mode 100755 (executable)
index 96bf4f5..0000000
+++ /dev/null
@@ -1,96 +0,0 @@
-/**************************************************************************
- *                                                                         *
- *         Java Grande Forum Benchmark Suite - Thread Version 1.0          *
- *                                                                         *
- *                            produced by                                  *
- *                                                                         *
- *                  Java Grande Benchmarking Project                       *
- *                                                                         *
- *                                at                                       *
- *                                                                         *
- *                Edinburgh Parallel Computing Centre                      *
- *                                                                         *
- *                email: epcc-javagrande@epcc.ed.ac.uk                     *
- *                                                                         *
- *                                                                         *
- *      This version copyright (c) The University of Edinburgh, 2001.      *
- *                         All rights reserved.                            *
- *                                                                         *
- **************************************************************************/
-
-// This implements a simple tournament-based barrier, using entirely its
-// own synchronisation. At present Yield() is called to stop busy-waiting
-// processes hogging the processor(s)!
-
-public class TournamentBarrier {
-  // Array of flags indicating whether the given process and all those
-  // for which it is responsible have finished. The "sense" of this
-  // array alternates with each barrier, to prevent having to
-  // reinitialise.
-  boolean[] IsDone;
-  public int maxBusyIter;
-  int numThreads;
-
-  public TournamentBarrier(int n) {
-    numThreads = n;
-    maxBusyIter = 1;
-    // Superclass constructor should record the number of threads
-    // and thread manager.
-    //super(n);
-
-    // Initialise the IsDone array. The choice of initial value is
-    // arbitrary, but must be consistent!
-    IsDone = new boolean[numThreads];
-    for(int i = 0; i < n; i++) {
-      IsDone[i] = false;
-    }
-  }
-
-  // Uses the manager's debug function, so this can only be used after
-  // construction!
-  public void debug(String s) {
-    //System.err.println("Debug message" + s);
-  }
-
-  /*
-  public void setMaxBusyIter(int b) {
-    maxBusyIter = b;
-  }
-  */
-
-  public void DoBarrier(int myid) {
-    int b;
-     //debug("Thread " + myid + " checking in");
-
-    int roundmask = 3;
-    boolean donevalue = !IsDone[myid];
-
-    while(((myid & roundmask) == 0) && (roundmask<(numThreads<<2))) {
-      int spacing = (roundmask+1) >> 2;
-      for(int i=1; i<=3 && myid+i*spacing < numThreads; i++) {
-         //debug("Thread " + myid + " waiting for thread " + (myid+i*spacing));
-        b = maxBusyIter;
-        while(IsDone[myid+i*spacing] != donevalue) {
-          b--;
-          if(b==0) {
-            //Thread.yield();
-            b = maxBusyIter;
-          }
-        }
-      }
-      roundmask = (roundmask << 2) + 3;
-    }
-     //debug("Thread " + myid + " reporting done");
-    IsDone[myid] = donevalue;
-    b = maxBusyIter;
-    while(IsDone[0] != donevalue) {
-      b--;
-      if(b==0) {
-        //Thread.yield();
-        b = maxBusyIter;
-      }
-    }
-    //debug("Thread " + myid + " checking out");
-
-  }
-}