Skip to content

Fix: compile cuda without openmp #5488

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
merged 1 commit into from
Nov 14, 2024
Merged

Fix: compile cuda without openmp #5488

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
9 changes: 8 additions & 1 deletion source/module_hamilt_lcao/module_gint/gint_force_gpu.cu
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,6 @@
#ifdef _OPENMP
#include <omp.h>
#endif

#include "gint_force_gpu.h"
#include "kernels/cuda/cuda_tools.cuh"
Expand Down Expand Up @@ -87,16 +89,21 @@ void gint_fvl_gpu(const hamilt::HContainer<double>* dm,
dm->get_wrapper(),
dm->get_nnr() * sizeof(double),
cudaMemcpyHostToDevice));

#ifdef _OPENMP
#pragma omp parallel for num_threads(num_streams) collapse(2)
#endif
for (int i = 0; i < gridt.nbx; i++)
{
for (int j = 0; j < gridt.nby; j++)
{
// 20240620 Note that it must be set again here because
// cuda's device is not safe in a multi-threaded environment.
checkCuda(cudaSetDevice(gridt.dev_id));
#ifdef _OPENMP
const int sid = omp_get_thread_num();
#else
const int sid = 0;
#endif

int max_m = 0;
int max_n = 0;
Expand Down
8 changes: 8 additions & 0 deletions source/module_hamilt_lcao/module_gint/gint_rho_gpu.cu
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,9 @@
#include "gint_tools.h"
#include "kernels/cuda/gint_rho.cuh"

#ifdef _OPENMP
#include <omp.h>
#endif

namespace GintKernel
{
Expand Down Expand Up @@ -68,7 +70,9 @@ void gint_rho_gpu(const hamilt::HContainer<double>* dm,
cudaMemcpyHostToDevice));

// calculate the rho for every nbzp bigcells
#ifdef _OPENMP
#pragma omp parallel for num_threads(num_streams) collapse(2)
#endif
for (int i = 0; i < gridt.nbx; i++)
{
for (int j = 0; j < gridt.nby; j++)
Expand All @@ -78,7 +82,11 @@ void gint_rho_gpu(const hamilt::HContainer<double>* dm,

checkCuda(cudaSetDevice(gridt.dev_id));
// get stream id
#ifdef _OPENMP
const int sid = omp_get_thread_num();
#else
const int sid = 0;
#endif

int max_m = 0;
int max_n = 0;
Expand Down
8 changes: 8 additions & 0 deletions source/module_hamilt_lcao/module_gint/gint_vl_gpu.cu
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,4 +1,6 @@
#ifdef _OPENMP
#include <omp.h>
#endif

#include "kernels/cuda/cuda_tools.cuh"
#include "module_base/ylm.h"
Expand Down Expand Up @@ -71,15 +73,21 @@ void gint_vl_gpu(hamilt::HContainer<double>* hRGint,
Cuda_Mem_Wrapper<double*> gemm_B(max_atompair_per_z, num_streams, true);
Cuda_Mem_Wrapper<double*> gemm_C(max_atompair_per_z, num_streams, true);

#ifdef _OPENMP
#pragma omp parallel for num_threads(num_streams) collapse(2)
#endif
for (int i = 0; i < gridt.nbx; i++)
{
for (int j = 0; j < gridt.nby; j++)
{
// 20240620 Note that it must be set again here because
// cuda's device is not safe in a multi-threaded environment.
checkCuda(cudaSetDevice(gridt.dev_id));
#ifdef _OPENMP
const int sid = omp_get_thread_num();
#else
const int sid = 0;
#endif

int max_m = 0;
int max_n = 0;
Expand Down