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Merge branch 'gpu' of github.com:TREX-CoE/qmckl into gpu

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Conflicts:
	org/qmckl_jastrow.org
This commit is contained in:
Anthony Scemama 2022-04-07 17:07:41 +02:00
commit 185c1c3cb7
1 changed files with 44 additions and 45 deletions
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@ -5916,7 +5916,7 @@ qmckl_compute_tmp_c_acc_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 acc parallel copyout(tmp_c [0:size_tmp_c]) copyin(een_rescaled_e[0:size_e], een_rescaled_n[0:size_n])
#pragma acc parallel copyout(tmp_c [0:size_tmp_c]) copyin(een_rescaled_e[0:size_e], een_rescaled_n[0:size_n])
{
#pragma acc loop independent gang worker vector collapse(5)
for (int nw=0; nw < walk_num; ++nw) {
@ -5935,7 +5935,6 @@ qmckl_compute_tmp_c_acc_offload (const qmckl_context context,
een_rescaled_e[l + m*stride_m_e + i*stride_i_e + nw*stride_nw_e] *
een_rescaled_n[m + k*stride_k_n + j*stride_j_n + nw*stride_nw_n];
}
}
}
}
@ -6013,10 +6012,10 @@ qmckl_compute_tmp_c_omp_offload (const qmckl_context context,
const int64_t size_n = walk_num*(cord_num+1)*nucl_num*elec_num;
#pragma omp target teams distribute parallel for collapse(5) \
map(to:een_rescaled_e[0:size_e], \
een_rescaled_n[0:size_n]) \
map(from:tmp_c[0:size_tmp_c])
// WARNING This implementation seems unomptimized
#pragma omp target map(from:tmp_c[0:size_tmp_c]) map(to:een_rescaled_e[0:size_e], een_rescaled_n[0:size_n])
{
#pragma omp teams distribute parallel for collapse(5)
for (int nw=0; nw < walk_num; ++nw) {
for (int i=0; i<cord_num; ++i){
@ -6033,7 +6032,7 @@ qmckl_compute_tmp_c_omp_offload (const qmckl_context context,
een_rescaled_e[l + m*stride_m_e + i*stride_i_e + nw*stride_nw_e] *
een_rescaled_n[m + k*stride_k_n + j*stride_j_n + nw*stride_nw_n];
}
}
}
}
}
@ -6471,14 +6470,13 @@ qmckl_compute_dtmp_c_acc_offload (
const int64_t stride_j_n = stride_k_n * nucl_num;
const int64_t stride_nw_n = stride_j_n * (cord_num+1);
const int64_t size_dtmp_c = walk_num*cord_num*(cord_num+1)*nucl_num*4*elec_num;
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 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 loop independent gang worker vector collapse(6)
#pragma acc loop independent gang worker vector collapse(6)
for (int nw=0; nw < walk_num; nw++) {
for (int i=0; i < cord_num; i++) {
@ -6575,11 +6573,11 @@ 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;
// WARNING This implementation seems unomptimized
#pragma omp target map(from:dtmp_c[0:size_dtmp_c]) map(to:een_rescaled_e_deriv_e[0:size_e], een_rescaled_n[0:size_n])
{
#pragma omp target teams distribute parallel for collapse(6) \
map(to:een_rescaled_e_deriv_e[0:size_e], \
een_rescaled_n[0:size_n]), \
map(from:dtmp_c[0:size_dtmp_c])
#pragma omp teams distribute parallel for collapse(6)
for (int nw=0; nw < walk_num; nw++) {
for (int i=0; i < cord_num; i++) {
@ -6590,7 +6588,7 @@ 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] +
@ -6603,6 +6601,7 @@ qmckl_exit_code qmckl_compute_dtmp_c_omp_offload (
}
}
}
}
return QMCKL_SUCCESS;
}