Commit e5339261 authored by Mulas, Giacomo's avatar Mulas, Giacomo
Browse files

Fix omp parallel loop in scr2()

parent b6a10e5b

src/libnptm/clu_subs.cpp

+28 −16
Original line number Diff line number Diff line
@@ -2222,10 +2222,6 @@ void scr2( 
  cph = uim * exri * vkarg;

  int ls = (c4->li < c4->le) ? c4->li : c4->le;

  int kmax = ls*(ls+2);

  dcomplex tsas00 = cc0;

  dcomplex tsas10 = cc0;

  dcomplex tsas01 = cc0;

  dcomplex tsas11 = cc0;

  dcomplex *vec_rmi = c1->rmi[0];

  dcomplex *vec_rei = c1->rei[0];

  dcomplex *vec_w = c1->w[0];
@@ -2233,7 +2229,7 @@ void scr2( 
#ifdef USE_NVTX

  nvtxRangePush("scr2 outer loop 1");

#endif

  //#pragma omp parallel for reduction(+:tsas00, tsas10, tsas01, tsas11)

#pragma omp parallel for

  for (int i14 = 1; i14 <= c4->nsph; i14++) {

    int i = i14 - 1;

    int iogi = c1->iog[i14 - 1];
@@ -2290,27 +2286,43 @@ void scr2( 
      vec_sas[vecindex+3] = s22 * csam;

    }

    // label 12

    // dcomplex phas = cexp(cph * (duk[0] * c1->rxx[i] + duk[1] * c1->ryy[i] + duk[2] * c1->rzz[i]));

    // tsas00 += (c1->sas[iogi - 1][0][0] * phas);

    // tsas10 += (c1->sas[iogi - 1][1][0] * phas);

    // tsas01 += (c1->sas[iogi - 1][0][1] * phas);

    // tsas11 += (c1->sas[iogi - 1][1][1] * phas);

  } // i14 loop

#ifdef USE_NVTX

  nvtxRangePop();

#endif

  dcomplex tsas00 = cc0;

  dcomplex tsas10 = cc0;

  dcomplex tsas01 = cc0;

  dcomplex tsas11 = cc0;

#ifdef USE_NVTX

  nvtxRangePush("scr2 loop 2");

#endif

  #pragma omp target teams distribute parallel for simd reduction(+:tsas00, tsas10, tsas01, tsas11)

  for (int i14 = 1; i14 <= c4->nsph; i14++) {

    int i = i14 - 1;

    int iogi = c1->iog[i14 - 1];

    // label 12

    dcomplex phas = cexp(cph * (duk[0] * c1->rxx[i] + duk[1] * c1->ryy[i] + duk[2] * c1->rzz[i]));

    tsas00 += (c1->sas[iogi - 1][0][0] * phas);

    tsas10 += (c1->sas[iogi - 1][1][0] * phas);

    tsas01 += (c1->sas[iogi - 1][0][1] * phas);

    tsas11 += (c1->sas[iogi - 1][1][1] * phas);

  } // i14 loop

#ifdef USE_NVTX

  nvtxRangePop();

#endif



  







  c3->tsas[0][0] = tsas00;

  c3->tsas[1][0] = tsas10;

  c3->tsas[0][1] = tsas01;

  c3->tsas[1][1] = tsas11;

#ifdef USE_NVTX

  nvtxRangePop();

#endif

  dcomplex *vec_vints = c1->vints[0];

#ifdef USE_NVTX

  nvtxRangePush("scr2 outer loop 2");

  nvtxRangePush("scr2 outer loop 3");

#endif

#pragma omp parallel for

  for (int i24 = 1; i24 <= c4->nsph; i24++) {
@@ -2318,7 +2330,7 @@ void scr2( 
    if (iogi >= i24) {

      // int j = 0;

#ifdef USE_NVTX

  nvtxRangePush("scr2 inner loop 2");

  nvtxRangePush("scr2 inner loop 3");

#endif

#pragma omp target teams distribute parallel for simd collapse(4)

      for (int ipo1 = 1; ipo1 <=2; ipo1++) {
@@ -2341,7 +2353,7 @@ void scr2( 
#endif

  // int j = 0;

#ifdef USE_NVTX

  nvtxRangePush("scr2 loop 3");

  nvtxRangePush("scr2 loop 4");

#endif

#pragma omp target parallel for collapse(4)

  for (int ipo1 = 1; ipo1 <=2; ipo1++) {