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Fix cublas

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This commit is contained in:
Anthony Scemama 2022-04-07 17:02:36 +02:00
parent a7fac59f04
commit 47d63aa9d3
2 changed files with 30 additions and 19 deletions
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9
configure.ac
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@ -310,20 +310,21 @@ AS_IF([test "$HAVE_CUBLAS_OFFLOAD" = "yes"], [
case $CC in case $CC in
*gcc*) *gcc*)
CFLAGS="$CFLAGS -fopenacc" CFLAGS="$CFLAGS -fopenmp"
LDFLAGS="-lcublas"
;; ;;
*nvc*) *nvc*)
CFLAGS="$CFLAGS -acc=gpu" CFLAGS="$CFLAGS -mp=gpu -cudalib=cublas"
;; ;;
esac esac
case $FC in case $FC in
*gfortran*) *gfortran*)
FCFLAGS="$FCFLAGS -fopenacc" FCFLAGS="$FCFLAGS -fopenmp"
;; ;;
*nvfortran*) *nvfortran*)
FCFLAGS="$FCFLAGS -acc=gpu" FCFLAGS="$FCFLAGS -mp=gpu -cudalib=cublas"
;; ;;
esac esac
]) ])

40
org/qmckl_jastrow.org
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@ -5870,14 +5870,15 @@ qmckl_exit_code qmckl_compute_tmp_c_hpc (const qmckl_context context,
#+begin_src c :comments org :tangle (eval c) :noweb yes #+begin_src c :comments org :tangle (eval c) :noweb yes
#ifdef HAVE_OPENACC_OFFLOAD #ifdef HAVE_OPENACC_OFFLOAD
qmckl_exit_code qmckl_compute_tmp_c_acc_offload (const qmckl_context context, qmckl_exit_code
const int64_t cord_num, qmckl_compute_tmp_c_acc_offload (const qmckl_context context,
const int64_t elec_num, const int64_t cord_num,
const int64_t nucl_num, const int64_t elec_num,
const int64_t walk_num, const int64_t nucl_num,
const double* een_rescaled_e, const int64_t walk_num,
const double* een_rescaled_n, const double* een_rescaled_e,
double* const tmp_c ) const double* een_rescaled_n,
double* const tmp_c )
{ {
if (context == QMCKL_NULL_CONTEXT) { if (context == QMCKL_NULL_CONTEXT) {
@ -6062,6 +6063,7 @@ qmckl_compute_tmp_c_omp_offload (const qmckl_context context,
#+begin_src c :comments org :tangle (eval c) :noweb yes #+begin_src c :comments org :tangle (eval c) :noweb yes
#ifdef HAVE_CUBLAS_OFFLOAD #ifdef HAVE_CUBLAS_OFFLOAD
qmckl_exit_code
qmckl_compute_tmp_c_cublas_offload (const qmckl_context context, qmckl_compute_tmp_c_cublas_offload (const qmckl_context context,
const int64_t cord_num, const int64_t cord_num,
const int64_t elec_num, const int64_t elec_num,
@ -6116,16 +6118,19 @@ qmckl_compute_tmp_c_cublas_offload (const qmckl_context context,
const int64_t bf = elec_num*nucl_num*(cord_num+1); const int64_t bf = elec_num*nucl_num*(cord_num+1);
const int64_t cf = bf; const int64_t cf = bf;
info = QMCKL_SUCCESS;
#pragma omp target enter data map(to:een_rescaled_e[0:elec_num*elec_num*(cord_num+1)*walk_num],een_rescaled_n[0:M*N*walk_num],tmp_c[0:elec_num*nucl_num*(cord_num+1)*cord_num*walk_num]) #pragma omp target enter data map(to:een_rescaled_e[0:elec_num*elec_num*(cord_num+1)*walk_num],een_rescaled_n[0:M*N*walk_num],tmp_c[0:elec_num*nucl_num*(cord_num+1)*cord_num*walk_num])
#pragma omp target data use_device_ptr(een_rescaled_e,een_rescaled_n,tmp_c) #pragma omp target data use_device_ptr(een_rescaled_e,een_rescaled_n,tmp_c)
{ {
#pragma omp target teams distribute parallel for collapse(2)
for (int nw=0; nw < walk_num; ++nw) { for (int nw=0; nw < walk_num; ++nw) {
for (int i=0; i<cord_num; ++i){ for (int i=0; i<cord_num; ++i){
//CuBlas implementation cublasStatus_t cublasError =
int cublasError = cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, M, N, K, &alpha, cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, M, N, K, &alpha,
&(een_rescaled_e[af*(i+nw*(cord_num+1))]), \ &(een_rescaled_e[af*(i+nw*(cord_num+1))]), \
LDA, \ LDA, \
&(een_rescaled_n[bf*nw]), \ &(een_rescaled_n[bf*nw]), \
@ -6134,6 +6139,7 @@ qmckl_compute_tmp_c_cublas_offload (const qmckl_context context,
&(tmp_c[cf*(i+nw*cord_num)]), \ &(tmp_c[cf*(i+nw*cord_num)]), \
LDC); LDC);
/*
//Manage cublas ERROR //Manage cublas ERROR
if(cublasError != CUBLAS_STATUS_SUCCESS){ if(cublasError != CUBLAS_STATUS_SUCCESS){
printf("CUBLAS ERROR %d", cublasError); printf("CUBLAS ERROR %d", cublasError);
@ -6142,6 +6148,7 @@ qmckl_compute_tmp_c_cublas_offload (const qmckl_context context,
}else{ }else{
info = QMCKL_SUCCESS; info = QMCKL_SUCCESS;
} }
*/
} }
@ -6162,7 +6169,8 @@ qmckl_compute_tmp_c_cublas_offload (const qmckl_context context,
#+begin_src c :comments org :tangle (eval h_private_func) :noweb yes :exports none #+begin_src c :comments org :tangle (eval h_private_func) :noweb yes :exports none
#ifdef HAVE_CUBLAS_OFFLOAD #ifdef HAVE_CUBLAS_OFFLOAD
qmckl_exit_code qmckl_compute_tmp_c_cublas_offload ( qmckl_exit_code
qmckl_compute_tmp_c_cublas_offload (
const qmckl_context context, const qmckl_context context,
const int64_t cord_num, const int64_t cord_num,
const int64_t elec_num, const int64_t elec_num,
@ -6419,7 +6427,8 @@ qmckl_exit_code qmckl_compute_dtmp_c_hpc (
#+begin_src c :comments org :tangle (eval c) :noweb yes #+begin_src c :comments org :tangle (eval c) :noweb yes
#ifdef HAVE_OPENACC_OFFLOAD #ifdef HAVE_OPENACC_OFFLOAD
qmckl_exit_code qmckl_compute_dtmp_c_acc_offload ( qmckl_exit_code
qmckl_compute_dtmp_c_acc_offload (
const qmckl_context context, const qmckl_context context,
const int64_t cord_num, const int64_t cord_num,
const int64_t elec_num, const int64_t elec_num,
@ -6570,7 +6579,7 @@ qmckl_exit_code qmckl_compute_dtmp_c_omp_offload (
#pragma omp target teams distribute parallel for collapse(6) \ #pragma omp target teams distribute parallel for collapse(6) \
map(to:een_rescaled_e_deriv_e[0:size_e], \ map(to:een_rescaled_e_deriv_e[0:size_e], \
een_rescaled_n[0:size_n]), \ een_rescaled_n[0:size_n]), \
map(tofrom:dtmp_c[0:size_dtmp_c]) map(from:dtmp_c[0:size_dtmp_c])
for (int nw=0; nw < walk_num; nw++) { for (int nw=0; nw < walk_num; nw++) {
for (int i=0; i < cord_num; i++) { for (int i=0; i < cord_num; i++) {
@ -6618,7 +6627,8 @@ qmckl_exit_code qmckl_compute_dtmp_c_omp_offload (
#+begin_src c :comments org :tangle (eval c) :noweb yes #+begin_src c :comments org :tangle (eval c) :noweb yes
#ifdef HAVE_CUBLAS_OFFLOAD #ifdef HAVE_CUBLAS_OFFLOAD
qmckl_exit_code qmckl_compute_dtmp_c_cublas_offload ( qmckl_exit_code
qmckl_compute_dtmp_c_cublas_offload (
const qmckl_context context, const qmckl_context context,
const int64_t cord_num, const int64_t cord_num,
const int64_t elec_num, const int64_t elec_num,