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OpenMP

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This commit is contained in:
Anthony Scemama 2022-04-06 17:11:21 +02:00
parent 88e8404b2a
commit 3ea90bc4a5
1 changed files with 11 additions and 21 deletions
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@ -5969,13 +5969,13 @@ qmckl_compute_tmp_c_omp_offload (const qmckl_context context,
const int64_t size_e = walk_num*(cord_num+1)*elec_num*elec_num;
const int64_t size_n = walk_num*(cord_num+1)*nucl_num*elec_num;
#pragma omp parallel copyout(tmp_c [0:size_tmp_c]) copyin(een_rescaled_e[0:size_e], een_rescaled_n[0:size_n])
{
#pragma omp loop independent gang worker vector
for (int64_t i=0 ; i<size_tmp_c ; ++i)
for (int64_t i=0 ; i<size_tmp_c ; ++i)
tmp_c[i] = 0.;
#pragma omp loop independent gang worker vector collapse(5)
#pragma omp target data map(to:een_rescaled_e[0:size_e], \
een_rescaled_n[0:size_n]) \
map(tofrom:tmp_c[0:size_tmp_c])
#pragma omp target teams distribute parallel for collapse(5)
for (int nw=0; nw < walk_num; ++nw) {
for (int i=0; i<cord_num; ++i){
@ -5998,7 +5998,6 @@ qmckl_compute_tmp_c_omp_offload (const qmckl_context context,
}
}
}
}
return QMCKL_SUCCESS;
}
@ -6314,8 +6313,6 @@ qmckl_compute_dtmp_c_hpc (const qmckl_context context,
const int64_t bf = elec_num*nucl_num*(cord_num+1);
const int64_t cf = elec_num*4*nucl_num*(cord_num+1);
printf("COUCOU\n");
#ifdef HAVE_OPENMP
#pragma omp parallel for collapse(2)
#endif
@ -6398,10 +6395,6 @@ qmckl_exit_code qmckl_compute_dtmp_c_acc_offload (
#pragma acc parallel copyout(dtmp_c [0:size_dtmp_c]) copyin(een_rescaled_e_deriv_e[0:size_e], een_rescaled_n[0:size_n])
{
#pragma acc loop independent gang worker vector
for (int64_t i=0 ; i<size_dtmp_c ; ++i)
dtmp_c[i] = 0.;
#pragma loop independent gang worker vector collapse(6)
for (int nw=0; nw < walk_num; nw++) {
for (int i=0; i < cord_num; i++) {
@ -6413,7 +6406,7 @@ qmckl_exit_code qmckl_compute_dtmp_c_acc_offload (
for(int m=0; m<elec_num; m++) {
// Single reduction
dtmp_c[m + l * stride_l_d + k * stride_k_d + j * stride_j_d + i * stride_i_d + nw * stride_nw_d] = 0;
dtmp_c[m + l * stride_l_d + k * stride_k_d + j * stride_j_d + i * stride_i_d + nw * stride_nw_d] = 0.;
for(int n=0; n<elec_num; n++){
dtmp_c[m + l * stride_l_d + k * stride_k_d + j * stride_j_d + i * stride_i_d + nw * stride_nw_d] =
dtmp_c[m + l * stride_l_d + k * stride_k_d + j * stride_j_d + i * stride_i_d + nw * stride_nw_d] +
@ -6499,13 +6492,11 @@ qmckl_exit_code qmckl_compute_dtmp_c_omp_offload (
const int64_t size_n = walk_num*(cord_num+1)*nucl_num*elec_num;
const int64_t size_e = walk_num*(cord_num+1)*elec_num*4*elec_num;
#pragma omp parallel copyout(dtmp_c [0:size_dtmp_c]) copyin(een_rescaled_e_deriv_e[0:size_e], een_rescaled_n[0:size_n])
{
#pragma omp target
for (int64_t i=0 ; i<size_dtmp_c ; ++i)
dtmp_c[i] = 0.;
#pragma loop independent gang worker vector collapse(6)
#pragma omp target data map(to:een_rescaled_e_deriv_e[0:size_e], \
een_rescaled_n[0:size_n]), \
map(tofrom:dtmp_c[0:size_dtmp_c])
#pragma omp target teams distribute parallel for collapse(6)
for (int nw=0; nw < walk_num; nw++) {
for (int i=0; i < cord_num; i++) {
@ -6516,7 +6507,7 @@ qmckl_exit_code qmckl_compute_dtmp_c_omp_offload (
for(int m=0; m<elec_num; m++) {
// Single reduction
dtmp_c[m + l * stride_l_d + k * stride_k_d + j * stride_j_d + i * stride_i_d + nw * stride_nw_d] = 0;
dtmp_c[m + l * stride_l_d + k * stride_k_d + j * stride_j_d + i * stride_i_d + nw * stride_nw_d] = 0.;
for(int n=0; n<elec_num; n++){
dtmp_c[m + l * stride_l_d + k * stride_k_d + j * stride_j_d + i * stride_i_d + nw * stride_nw_d] =
dtmp_c[m + l * stride_l_d + k * stride_k_d + j * stride_j_d + i * stride_i_d + nw * stride_nw_d] +
@ -6529,7 +6520,6 @@ qmckl_exit_code qmckl_compute_dtmp_c_omp_offload (
}
}
}
}
return QMCKL_SUCCESS;
}