Data Structure Example - Molecular Dynamics

• Intermediate step where each loop is parallelized

  • Verifies that work is fundamentally parallel
  • If performance is good enough - STOP
  • But high overheads
    • Loop startup
    • Data migration

void BuildNebrList (){

#pragma omp parallel for private (n) shared(nAtom,nMax,cellList)

for (n = nAtom; n < nMax; n ++)

cellList[n] = -1;

#pragma omp parallel for private (ip)

for (ip = 0; ip < nProc; ip ++) BuildNebrListCells (ip);

#pragma omp parallel for private (ip)

for (ip = 0; ip < nProc; ip ++) BuildNebrListEntries (ip, nebrTab[ip], &nebrTabLen[ip]);

}

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