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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 12:23:43 +01:00

H_oo on GPU

This commit is contained in:
Anthony Scemama 2024-06-29 02:27:50 +02:00
parent b467bef6dd
commit 860121d404
6 changed files with 540 additions and 228 deletions

View File

@ -1,5 +1,6 @@
#include <stdint.h> #include <stdint.h>
#include <stdio.h> #include <stdio.h>
#include <stdbool.h>
#include <stdlib.h> #include <stdlib.h>
#include <string.h> #include <string.h>
#include <assert.h> #include <assert.h>
@ -10,6 +11,10 @@
/* Generic functions */ /* Generic functions */
bool no_gpu() {
return false;
}
int gpu_ndevices() { int gpu_ndevices() {
int ngpus; int ngpus;
cudaGetDeviceCount(&ngpus); cudaGetDeviceCount(&ngpus);
@ -17,7 +22,7 @@ int gpu_ndevices() {
} }
void gpu_set_device(int32_t igpu) { void gpu_set_device(int32_t igpu) {
cudaSetDevice(igpu); cudaSetDevice((int) igpu);
} }
@ -64,22 +69,20 @@ void gpu_copy(const void* gpu_ptr_src, void* gpu_ptr_dest, const int64_t n) {
/* Streams */ /* Streams */
void gpu_stream_create(void** ptr) { void gpu_stream_create(cudaStream_t* ptr) {
cudaStream_t stream; cudaError_t rc = cudaStreamCreate(ptr);
cudaError_t rc = cudaStreamCreate(&stream);
assert (rc == cudaSuccess); assert (rc == cudaSuccess);
*ptr = (void*) stream;
} }
void gpu_stream_destroy(void** ptr) { void gpu_stream_destroy(cudaStream_t* ptr) {
assert (*ptr != NULL); assert (ptr != NULL);
cudaError_t rc = cudaStreamDestroy( (cudaStream_t) *ptr); cudaError_t rc = cudaStreamDestroy(*ptr);
assert (rc == cudaSuccess); assert (rc == cudaSuccess);
*ptr = NULL; *ptr = NULL;
} }
void gpu_set_stream(void** handle, void** stream) { void gpu_set_stream(cublasHandle_t handle, cudaStream_t stream) {
cublasSetStream( (cublasHandle_t) *handle, (cudaStream_t) *stream); cublasSetStream(handle, stream);
} }
void gpu_synchronize() { void gpu_synchronize() {
@ -89,75 +92,80 @@ void gpu_synchronize() {
/* BLAS functions */ /* BLAS functions */
void gpu_blas_create(void** handle) { void gpu_blas_create(cublasHandle_t* ptr) {
cublasHandle_t cublas_handle; cublasStatus_t rc = cublasCreate(ptr);
cublasStatus_t rc = cublasCreate(&cublas_handle);
assert (rc == CUBLAS_STATUS_SUCCESS); assert (rc == CUBLAS_STATUS_SUCCESS);
*handle = (void*) cublas_handle;
} }
void gpu_blas_destroy(void** handle) { void gpu_blas_destroy(cublasHandle_t* ptr) {
assert (*handle != NULL); assert (ptr != NULL);
cublasStatus_t rc = cublasDestroy( (cublasHandle_t) *handle); cublasStatus_t rc = cublasDestroy(*ptr);
assert (rc == CUBLAS_STATUS_SUCCESS); assert (rc == CUBLAS_STATUS_SUCCESS);
*handle = NULL; ptr = NULL;
} }
void gpu_ddot(void** handle, const int64_t n, const double* x, const int64_t incx, const double* y, const int64_t incy, double* result) { void gpu_ddot(cublasHandle_t handle, const int64_t n, const double* x, const int64_t incx, const double* y, const int64_t incy, double* result) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int */
int n_, incx_, incy_;
/* Convert to int32_t */ n_ = (int) n;
int32_t n_, incx_, incy_; incx_ = (int) incx;
incy_ = (int) incy;
n_ = (int32_t) n; assert ( (int64_t) n_ == n );
incx_ = (int32_t) incx; assert ( (int64_t) incx_ == incx);
incy_ = (int32_t) incy; assert ( (int64_t) incy_ == incy);
cublasStatus_t rc = cublasDdot(handle, n_, x, incx_, y, incy_, result);
/*
double alpha = 1.0;
double beta = 0.0;
cublasStatus_t rc = cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, 1, 1, n_, &alpha, x, 1, y, n_, &beta, &result_, 1);
*/
assert (rc == CUBLAS_STATUS_SUCCESS);
}
void gpu_sdot(cublasHandle_t handle, const int64_t n, const float* x, const int64_t incx, const float* y, const int64_t incy, float* result) {
assert (handle != NULL);
/* Convert to int */
int n_, incx_, incy_;
n_ = (int) n;
incx_ = (int) incx;
incy_ = (int) incy;
/* Check for integer overflows */ /* Check for integer overflows */
assert ( (int64_t) n_ == n ); assert ( (int64_t) n_ == n );
assert ( (int64_t) incx_ == incx); assert ( (int64_t) incx_ == incx);
assert ( (int64_t) incy_ == incy); assert ( (int64_t) incy_ == incy);
cublasDdot((cublasHandle_t) *handle, n_, x, incx_, y, incy_, result); float result_ = 0.;
cublasStatus_t rc = cublasSdot(handle, n_, x, incx_, y, incy_, &result_);
assert (rc == CUBLAS_STATUS_SUCCESS);
*result = result_;
} }
void gpu_sdot(void** handle, const int64_t n, const float* x, const int64_t incx, const float* y, const int64_t incy, float* result) { void gpu_dgemv(cublasHandle_t handle, const char transa, const int64_t m, const int64_t n, const double alpha,
assert (*handle != NULL);
/* Convert to int32_t */
int32_t n_, incx_, incy_;
n_ = (int32_t) n;
incx_ = (int32_t) incx;
incy_ = (int32_t) incy;
/* Check for integer overflows */
assert ( (int64_t) n_ == n );
assert ( (int64_t) incx_ == incx);
assert ( (int64_t) incy_ == incy);
cublasSdot((cublasHandle_t) *handle, n_, x, incx_, y, incy_, result);
}
void gpu_dgemv(void** handle, const char transa, const int64_t m, const int64_t n, const double alpha,
const double* a, const int64_t lda, const double* x, const int64_t incx, const double beta, double* y, const int64_t incy) { const double* a, const int64_t lda, const double* x, const int64_t incx, const double beta, double* y, const int64_t incy) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int */
int32_t m_, n_, lda_, incx_, incy_; int m_, n_, lda_, incx_, incy_;
m_ = (int32_t) m; m_ = (int) m;
n_ = (int32_t) n; n_ = (int) n;
lda_ = (int32_t) lda; lda_ = (int) lda;
incx_ = (int32_t) incx; incx_ = (int) incx;
incy_ = (int32_t) incy; incy_ = (int) incy;
/* Check for integer overflows */ /* Check for integer overflows */
assert ( (int64_t) m_ == m ); assert ( (int64_t) m_ == m );
@ -169,24 +177,24 @@ void gpu_dgemv(void** handle, const char transa, const int64_t m, const int64_t
cublasOperation_t transa_ = CUBLAS_OP_N; cublasOperation_t transa_ = CUBLAS_OP_N;
if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T; if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T;
cublasDgemv((cublasHandle_t) *handle, transa_, m_, n_, &alpha, a, lda_, x, incx_, &beta, y, incy_); cublasDgemv(handle, transa_, m_, n_, &alpha, a, lda_, x, incx_, &beta, y, incy_);
} }
void gpu_sgemv(void** handle, const char transa, const int64_t m, const int64_t n, const float alpha, void gpu_sgemv(cublasHandle_t handle, const char transa, const int64_t m, const int64_t n, const float alpha,
const float* a, const int64_t lda, const float* x, const int64_t incx, const float beta, float* y, const int64_t incy) { const float* a, const int64_t lda, const float* x, const int64_t incx, const float beta, float* y, const int64_t incy) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int */
int32_t m_, n_, lda_, incx_, incy_; int m_, n_, lda_, incx_, incy_;
m_ = (int32_t) m; m_ = (int) m;
n_ = (int32_t) n; n_ = (int) n;
lda_ = (int32_t) lda; lda_ = (int) lda;
incx_ = (int32_t) incx; incx_ = (int) incx;
incy_ = (int32_t) incy; incy_ = (int) incy;
/* Check for integer overflows */ /* Check for integer overflows */
assert ( (int64_t) m_ == m ); assert ( (int64_t) m_ == m );
@ -198,24 +206,24 @@ void gpu_sgemv(void** handle, const char transa, const int64_t m, const int64_t
cublasOperation_t transa_ = CUBLAS_OP_N; cublasOperation_t transa_ = CUBLAS_OP_N;
if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T; if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T;
cublasSgemv((cublasHandle_t) *handle, transa_, m_, n_, &alpha, a, lda_, x, incx_, &beta, y, incy_); cublasSgemv(handle, transa_, m_, n_, &alpha, a, lda_, x, incx_, &beta, y, incy_);
} }
void gpu_dgemm(void** handle, const char transa, const char transb, const int64_t m, const int64_t n, const int64_t k, const double alpha, void gpu_dgemm(cublasHandle_t handle, const char transa, const char transb, const int64_t m, const int64_t n, const int64_t k, const double alpha,
const double* a, const int64_t lda, const double* b, const int64_t ldb, const double beta, double* c, const int64_t ldc) { const double* a, const int64_t lda, const double* b, const int64_t ldb, const double beta, double* c, const int64_t ldc) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int */
int32_t m_, n_, k_, lda_, ldb_, ldc_; int m_, n_, k_, lda_, ldb_, ldc_;
m_ = (int32_t) m; m_ = (int) m;
n_ = (int32_t) n; n_ = (int) n;
k_ = (int32_t) k; k_ = (int) k;
lda_ = (int32_t) lda; lda_ = (int) lda;
ldb_ = (int32_t) ldb; ldb_ = (int) ldb;
ldc_ = (int32_t) ldc; ldc_ = (int) ldc;
/* Check for integer overflows */ /* Check for integer overflows */
assert ( (int64_t) m_ == m ); assert ( (int64_t) m_ == m );
@ -230,25 +238,25 @@ void gpu_dgemm(void** handle, const char transa, const char transb, const int64_
if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T; if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T;
if (transb == 'T' || transb == 't') transb_ = CUBLAS_OP_T; if (transb == 'T' || transb == 't') transb_ = CUBLAS_OP_T;
cublasDgemm((cublasHandle_t) *handle, transa_, transb_, m_, n_, k_, &alpha, a, lda_, b, ldb_, &beta, c, ldc_); cublasDgemm(handle, transa_, transb_, m_, n_, k_, &alpha, a, lda_, b, ldb_, &beta, c, ldc_);
} }
void gpu_sgemm(void** handle, const char transa, const char transb, const int64_t m, const int64_t n, const int64_t k, const float alpha, void gpu_sgemm(cublasHandle_t handle, const char transa, const char transb, const int64_t m, const int64_t n, const int64_t k, const float alpha,
const float* a, const int64_t lda, const float* b, const int64_t ldb, const float beta, float* c, const int64_t ldc) { const float* a, const int64_t lda, const float* b, const int64_t ldb, const float beta, float* c, const int64_t ldc) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int */
int32_t m_, n_, k_, lda_, ldb_, ldc_; int m_, n_, k_, lda_, ldb_, ldc_;
m_ = (int32_t) m; m_ = (int) m;
n_ = (int32_t) n; n_ = (int) n;
k_ = (int32_t) k; k_ = (int) k;
lda_ = (int32_t) lda; lda_ = (int) lda;
ldb_ = (int32_t) ldb; ldb_ = (int) ldb;
ldc_ = (int32_t) ldc; ldc_ = (int) ldc;
/* Check for integer overflows */ /* Check for integer overflows */
assert ( (int64_t) m_ == m ); assert ( (int64_t) m_ == m );
@ -263,22 +271,22 @@ void gpu_sgemm(void** handle, const char transa, const char transb, const int64_
if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T; if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T;
if (transb == 'T' || transb == 't') transb_ = CUBLAS_OP_T; if (transb == 'T' || transb == 't') transb_ = CUBLAS_OP_T;
cublasSgemm((cublasHandle_t) *handle, transa_, transb_, m_, n_, k_, &alpha, a, lda_, b, ldb_, &beta, c, ldc_); cublasSgemm(handle, transa_, transb_, m_, n_, k_, &alpha, a, lda_, b, ldb_, &beta, c, ldc_);
} }
void gpu_dgeam(void** handle, const char transa, const char transb, const int64_t m, const int64_t n, const double alpha, void gpu_dgeam(cublasHandle_t handle, const char transa, const char transb, const int64_t m, const int64_t n, const double alpha,
const double* a, const int64_t lda, const double beta, const double* b, const int64_t ldb, double* c, const int64_t ldc) { const double* a, const int64_t lda, const double beta, const double* b, const int64_t ldb, double* c, const int64_t ldc) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int */
int32_t m_, n_, lda_, ldb_, ldc_; int m_, n_, lda_, ldb_, ldc_;
m_ = (int32_t) m; m_ = (int) m;
n_ = (int32_t) n; n_ = (int) n;
lda_ = (int32_t) lda; lda_ = (int) lda;
ldb_ = (int32_t) ldb; ldb_ = (int) ldb;
ldc_ = (int32_t) ldc; ldc_ = (int) ldc;
/* Check for integer overflows */ /* Check for integer overflows */
assert ( (int64_t) m_ == m ); assert ( (int64_t) m_ == m );
@ -292,23 +300,23 @@ void gpu_dgeam(void** handle, const char transa, const char transb, const int64_
if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T; if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T;
if (transb == 'T' || transb == 't') transb_ = CUBLAS_OP_T; if (transb == 'T' || transb == 't') transb_ = CUBLAS_OP_T;
cublasDgeam((cublasHandle_t) *handle, transa_, transb_, m_, n_, &alpha, a, lda_, &beta, b, ldb_, c, ldc_); cublasDgeam(handle, transa_, transb_, m_, n_, &alpha, a, lda_, &beta, b, ldb_, c, ldc_);
} }
void gpu_sgeam(void** handle, const char transa, const char transb, const int64_t m, const int64_t n, const float alpha, void gpu_sgeam(cublasHandle_t handle, const char transa, const char transb, const int64_t m, const int64_t n, const float alpha,
const float* a, const int64_t lda, const float beta, const float* b, const int64_t ldb, float* c, const int64_t ldc) { const float* a, const int64_t lda, const float beta, const float* b, const int64_t ldb, float* c, const int64_t ldc) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int */
int32_t m_, n_, lda_, ldb_, ldc_; int m_, n_, lda_, ldb_, ldc_;
m_ = (int32_t) m; m_ = (int) m;
n_ = (int32_t) n; n_ = (int) n;
lda_ = (int32_t) lda; lda_ = (int) lda;
ldb_ = (int32_t) ldb; ldb_ = (int) ldb;
ldc_ = (int32_t) ldc; ldc_ = (int) ldc;
/* Check for integer overflows */ /* Check for integer overflows */
assert ( (int64_t) m_ == m ); assert ( (int64_t) m_ == m );
@ -322,6 +330,6 @@ void gpu_sgeam(void** handle, const char transa, const char transb, const int64_
if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T; if (transa == 'T' || transa == 't') transa_ = CUBLAS_OP_T;
if (transb == 'T' || transb == 't') transb_ = CUBLAS_OP_T; if (transb == 'T' || transb == 't') transb_ = CUBLAS_OP_T;
cublasSgeam((cublasHandle_t) *handle, transa_, transb_, m_, n_, &alpha, a, lda_, &beta, b, ldb_, c, ldc_); cublasSgeam(handle, transa_, transb_, m_, n_, &alpha, a, lda_, &beta, b, ldb_, c, ldc_);
} }

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@ -2,8 +2,12 @@
#include <stdio.h> #include <stdio.h>
#include <stdlib.h> #include <stdlib.h>
#include <string.h> #include <string.h>
#include <stdbool.h>
#include <assert.h> #include <assert.h>
bool no_gpu() {
return true;
}
/* Generic functions */ /* Generic functions */
@ -56,7 +60,7 @@ void gpu_stream_destroy(void** ptr) {
*ptr = NULL; *ptr = NULL;
} }
void gpu_set_stream(void** handle, void** stream) { void gpu_set_stream(void* handle, void* stream) {
return; return;
} }
@ -79,8 +83,8 @@ void gpu_blas_destroy(void** handle) {
double ddot_(const int32_t* n, const double* x, const int32_t* incx, const double* y, const int32_t* incy); double ddot_(const int32_t* n, const double* x, const int32_t* incx, const double* y, const int32_t* incy);
void gpu_ddot(void** handle, const int64_t n, const double* x, const int64_t incx, const double* y, const int64_t incy, double* result) { void gpu_ddot(void* handle, const int64_t n, const double* x, const int64_t incx, const double* y, const int64_t incy, double* result) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int32_t */
int32_t n_, incx_, incy_; int32_t n_, incx_, incy_;
@ -100,8 +104,8 @@ void gpu_ddot(void** handle, const int64_t n, const double* x, const int64_t inc
float sdot_(const int32_t* n, const float* x, const int32_t* incx, const float* y, const int32_t* incy); float sdot_(const int32_t* n, const float* x, const int32_t* incx, const float* y, const int32_t* incy);
void gpu_sdot(void** handle, const int64_t n, const float* x, const int64_t incx, const float* y, const int64_t incy, float* result) { void gpu_sdot(void* handle, const int64_t n, const float* x, const int64_t incx, const float* y, const int64_t incy, float* result) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int32_t */
int32_t n_, incx_, incy_; int32_t n_, incx_, incy_;
@ -122,10 +126,10 @@ void gpu_sdot(void** handle, const int64_t n, const float* x, const int64_t incx
void dgemv_(const char* transa, const int32_t* m, const int32_t* n, const double* alpha, void dgemv_(const char* transa, const int32_t* m, const int32_t* n, const double* alpha,
const double* a, const int32_t* lda, const double* x, const int32_t* incx, const double* beta, double* y, const int32_t* incy); const double* a, const int32_t* lda, const double* x, const int32_t* incx, const double* beta, double* y, const int32_t* incy);
void gpu_dgemv(void** handle, const char transa, const int64_t m, const int64_t n, const double alpha, void gpu_dgemv(void* handle, const char transa, const int64_t m, const int64_t n, const double alpha,
const double* a, const int64_t lda, const double* x, const int64_t incx, const double beta, double* y, const int64_t incy) { const double* a, const int64_t lda, const double* x, const int64_t incx, const double beta, double* y, const int64_t incy) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int32_t */
int32_t m_, n_, lda_, incx_, incy_; int32_t m_, n_, lda_, incx_, incy_;
@ -150,10 +154,10 @@ void gpu_dgemv(void** handle, const char transa, const int64_t m, const int64_t
void sgemv_(const char* transa, const int32_t* m, const int32_t* n, const float* alpha, void sgemv_(const char* transa, const int32_t* m, const int32_t* n, const float* alpha,
const float* a, const int32_t* lda, const float* x, const int32_t* incx, const float* beta, float* y, const int32_t* incy); const float* a, const int32_t* lda, const float* x, const int32_t* incx, const float* beta, float* y, const int32_t* incy);
void gpu_sgemv(void** handle, const char transa, const int64_t m, const int64_t n, const float alpha, void gpu_sgemv(void* handle, const char transa, const int64_t m, const int64_t n, const float alpha,
const float* a, const int64_t lda, const float* x, const int64_t incx, const float beta, float* y, const int64_t incy) { const float* a, const int64_t lda, const float* x, const int64_t incx, const float beta, float* y, const int64_t incy) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int32_t */
int32_t m_, n_, lda_, incx_, incy_; int32_t m_, n_, lda_, incx_, incy_;
@ -178,10 +182,10 @@ void gpu_sgemv(void** handle, const char transa, const int64_t m, const int64_t
void dgemm_(const char* transa, const char* transb, const int32_t* m, const int32_t* n, const int32_t* k, const double* alpha, void dgemm_(const char* transa, const char* transb, const int32_t* m, const int32_t* n, const int32_t* k, const double* alpha,
const double* a, const int32_t* lda, const double* b, const int32_t* ldb, const double* beta, double* c, const int32_t* ldc); const double* a, const int32_t* lda, const double* b, const int32_t* ldb, const double* beta, double* c, const int32_t* ldc);
void gpu_dgemm(void** handle, const char transa, const char transb, const int64_t m, const int64_t n, const int64_t k, const double alpha, void gpu_dgemm(void* handle, const char transa, const char transb, const int64_t m, const int64_t n, const int64_t k, const double alpha,
const double* a, const int64_t lda, const double* b, const int64_t ldb, const double beta, double* c, const int64_t ldc) { const double* a, const int64_t lda, const double* b, const int64_t ldb, const double beta, double* c, const int64_t ldc) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int32_t */
int32_t m_, n_, k_, lda_, ldb_, ldc_; int32_t m_, n_, k_, lda_, ldb_, ldc_;
@ -209,10 +213,10 @@ void gpu_dgemm(void** handle, const char transa, const char transb, const int64_
void sgemm_(const char* transa, const char* transb, const int32_t* m, const int32_t* n, const int32_t* k, const float* alpha, void sgemm_(const char* transa, const char* transb, const int32_t* m, const int32_t* n, const int32_t* k, const float* alpha,
const float* a, const int32_t* lda, const float* b, const int32_t* ldb, const float* beta, float* c, const int32_t* ldc); const float* a, const int32_t* lda, const float* b, const int32_t* ldb, const float* beta, float* c, const int32_t* ldc);
void gpu_sgemm(void** handle, const char transa, const char transb, const int64_t m, const int64_t n, const int64_t k, const float alpha, void gpu_sgemm(void* handle, const char transa, const char transb, const int64_t m, const int64_t n, const int64_t k, const float alpha,
const float* a, const int64_t lda, const float* b, const int64_t ldb, const float beta, float* c, const int64_t ldc) { const float* a, const int64_t lda, const float* b, const int64_t ldb, const float beta, float* c, const int64_t ldc) {
assert (*handle != NULL); assert (handle != NULL);
/* Convert to int32_t */ /* Convert to int32_t */
int32_t m_, n_, k_, lda_, ldb_, ldc_; int32_t m_, n_, k_, lda_, ldb_, ldc_;
@ -236,9 +240,9 @@ void gpu_sgemm(void** handle, const char transa, const char transb, const int64_
} }
void gpu_dgeam(void** handle, const char transa, const char transb, const int64_t m, const int64_t n, const double alpha, void gpu_dgeam(void* handle, const char transa, const char transb, const int64_t m, const int64_t n, const double alpha,
const double* a, const int64_t lda, const double beta, const double* b, const int64_t ldb, double* c, const int64_t ldc) { const double* a, const int64_t lda, const double beta, const double* b, const int64_t ldb, double* c, const int64_t ldc) {
assert (*handle != NULL); assert (handle != NULL);
if ( (transa == 'N' && transb == 'N') || if ( (transa == 'N' && transb == 'N') ||
(transa == 'n' && transb == 'N') || (transa == 'n' && transb == 'N') ||
@ -368,9 +372,9 @@ void gpu_dgeam(void** handle, const char transa, const char transb, const int64_
} }
void gpu_sgeam(void** handle, const char transa, const char transb, const int64_t m, const int64_t n, const float alpha, void gpu_sgeam(void* handle, const char transa, const char transb, const int64_t m, const int64_t n, const float alpha,
const float* a, const int64_t lda, const float beta, const float* b, const int64_t ldb, float* c, const int64_t ldc) { const float* a, const int64_t lda, const float beta, const float* b, const int64_t ldb, float* c, const int64_t ldc) {
assert (*handle != NULL); assert (handle != NULL);
if ( (transa == 'N' && transb == 'N') || if ( (transa == 'N' && transb == 'N') ||
(transa == 'n' && transb == 'N') || (transa == 'n' && transb == 'N') ||

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@ -14,9 +14,15 @@ subroutine run_ccsd_space_orb
type(gpu_double2) :: t1, r1 type(gpu_double2) :: t1, r1
type(gpu_double2) :: H_oo, H_vv, H_vo type(gpu_double2) :: H_oo, H_vv, H_vo
type(gpu_double2) :: d_cc_space_f_vo type(gpu_double2) :: d_cc_space_f_oo, d_cc_space_f_vo
type(gpu_double2) :: d_cc_space_f_ov, d_cc_space_f_vv
type(gpu_double3) :: d_cc_space_v_oo_chol, d_cc_space_v_vo_chol
type(gpu_double3) :: d_cc_space_v_ov_chol, d_cc_space_v_vv_chol
type(gpu_double4) :: d_cc_space_v_oovv type(gpu_double4) :: d_cc_space_v_oovv
double precision, allocatable :: all_err(:,:), all_t(:,:) double precision, allocatable :: all_err(:,:), all_t(:,:)
integer, allocatable :: list_occ(:), list_vir(:) integer, allocatable :: list_occ(:), list_vir(:)
integer(bit_kind) :: det(N_int,2) integer(bit_kind) :: det(N_int,2)
@ -24,7 +30,7 @@ subroutine run_ccsd_space_orb
call set_multiple_levels_omp(.False.) call set_multiple_levels_omp(.False.)
if (do_ao_cholesky) then if (do_mo_cholesky) then
PROVIDE cholesky_mo_transp PROVIDE cholesky_mo_transp
FREE cholesky_ao FREE cholesky_ao
else else
@ -55,11 +61,36 @@ subroutine run_ccsd_space_orb
!print*,'occ',list_occ !print*,'occ',list_occ
!print*,'vir',list_vir !print*,'vir',list_vir
! GPU arrays
call gpu_allocate(d_cc_space_f_oo, nO, nO)
call gpu_allocate(d_cc_space_f_vo, nV, nO) call gpu_allocate(d_cc_space_f_vo, nV, nO)
call gpu_allocate(d_cc_space_v_oovv, nO, nO, nV, nV) call gpu_allocate(d_cc_space_f_ov, nO, nV)
call gpu_upload(cc_space_f_vo, d_cc_space_f_vo) call gpu_allocate(d_cc_space_f_vv, nV, nV)
call gpu_upload(cc_space_v_oovv, d_cc_space_v_oovv)
call gpu_upload(cc_space_f_oo, d_cc_space_f_oo)
call gpu_upload(cc_space_f_vo, d_cc_space_f_vo)
call gpu_upload(cc_space_f_vv, d_cc_space_f_vv)
! FREE cc_space_f_oo
! FREE cc_space_f_vo
! FREE cc_space_f_vv
if (do_mo_cholesky) then
call gpu_allocate(d_cc_space_v_oo_chol, cholesky_mo_num, nO, nO)
call gpu_allocate(d_cc_space_v_ov_chol, cholesky_mo_num, nO, nV)
call gpu_allocate(d_cc_space_v_vo_chol, cholesky_mo_num, nV, nO)
call gpu_allocate(d_cc_space_v_vv_chol, cholesky_mo_num, nV, nV)
call gpu_upload(cc_space_v_oo_chol, d_cc_space_v_oo_chol)
call gpu_upload(cc_space_v_ov_chol, d_cc_space_v_ov_chol)
call gpu_upload(cc_space_v_vo_chol, d_cc_space_v_vo_chol)
call gpu_upload(cc_space_v_vv_chol, d_cc_space_v_vv_chol)
! FREE cc_space_v_oo_chol
! FREE cc_space_v_ov_chol
! FREE cc_space_v_vo_chol
! FREE cc_space_v_vv_chol
endif
call gpu_allocate(t2, nO,nO,nV,nV) call gpu_allocate(t2, nO,nO,nV,nV)
call gpu_allocate(r2, nO,nO,nV,nV) call gpu_allocate(r2, nO,nO,nV,nV)
@ -120,6 +151,13 @@ subroutine run_ccsd_space_orb
call guess_t2(nO,nV,cc_space_f_o,cc_space_f_v,cc_space_v_oovv,h_t2) call guess_t2(nO,nV,cc_space_f_o,cc_space_f_v,cc_space_v_oovv,h_t2)
call gpu_upload(h_t2, t2) call gpu_upload(h_t2, t2)
call gpu_allocate(d_cc_space_v_oovv, nO, nO, nV, nV)
call gpu_upload(cc_space_v_oovv, d_cc_space_v_oovv)
! FREE cc_space_v_oovv
call update_tau_space(nO,nV,h_t1,t1,t2,tau) call update_tau_space(nO,nV,h_t1,t1,t2,tau)
call update_tau_x_space(nO,nV,tau,tau_x) call update_tau_x_space(nO,nV,tau,tau_x)
!print*,'hf_energy', hf_energy !print*,'hf_energy', hf_energy
@ -142,10 +180,10 @@ subroutine run_ccsd_space_orb
do while (not_converged) do while (not_converged)
! Residue ! Residue
if (do_ao_cholesky) then if (do_mo_cholesky) then
! if (.False.) then call compute_H_oo_chol(nO,nV,tau_x,d_cc_space_f_oo, &
call compute_H_oo_chol(nO,nV,tau_x,H_oo) d_cc_space_v_ov_chol,d_cc_space_v_vo_chol,H_oo)
call compute_H_vv_chol(nO,nV,tau_x%f,H_vv%f) call compute_H_vv_chol(nO,nV,tau_x,H_vv)
call compute_H_vo_chol(nO,nV,t1%f,H_vo%f) call compute_H_vo_chol(nO,nV,t1%f,H_vo%f)
call compute_r1_space_chol(nO,nV,t1%f,t2%f,tau%f,H_oo%F,H_vv%F,H_vo%F,r1%f,max_r1) call compute_r1_space_chol(nO,nV,t1%f,t2%f,tau%f,H_oo%F,H_vv%F,H_vo%F,r1%f,max_r1)
@ -249,6 +287,12 @@ subroutine run_ccsd_space_orb
call save_energy(uncorr_energy + energy, e_t) call save_energy(uncorr_energy + energy, e_t)
deallocate(h_t1, h_t2) deallocate(h_t1, h_t2)
if (do_mo_cholesky) then
call gpu_deallocate(d_cc_space_v_oo_chol)
call gpu_deallocate(d_cc_space_v_ov_chol)
call gpu_deallocate(d_cc_space_v_vo_chol)
call gpu_deallocate(d_cc_space_v_vv_chol)
endif
call gpu_deallocate(d_cc_space_f_vo) call gpu_deallocate(d_cc_space_f_vo)
call gpu_deallocate(d_cc_space_v_oovv) call gpu_deallocate(d_cc_space_v_oovv)
call gpu_deallocate(t1) call gpu_deallocate(t1)
@ -302,8 +346,21 @@ subroutine ccsd_energy_space_x(nO,nV,d_cc_space_v_oovv,d_cc_space_f_vo,tau_x,t1,
! !$omp end parallel ! !$omp end parallel
call gpu_ddot(blas_handle, nO*nO*nV*nV*1_8, tau_x, 1, d_cc_space_v_oovv, 1, energy) type(gpu_stream) :: s1, s2
call gpu_ddot(blas_handle, nO*nV*1_8, d_cc_space_f_vo, 1, t1, 1, e) call gpu_stream_create(s1)
call gpu_stream_create(s2)
call gpu_set_stream(blas_handle,s1)
call gpu_ddot(blas_handle, nO*nV, d_cc_space_f_vo, 1, t1, 1, e)
call gpu_set_stream(blas_handle,s2)
call gpu_ddot_64(blas_handle, nO*nO*nV*nV*1_8, tau_x, 1_8, d_cc_space_v_oovv, 1_8, energy)
call gpu_synchronize()
call gpu_set_stream(blas_handle,gpu_default_stream)
call gpu_stream_destroy(s1)
call gpu_stream_destroy(s2)
energy = energy + 2.d0*e energy = energy + 2.d0*e
end end
@ -346,32 +403,29 @@ subroutine update_tau_space(nO,nV,h_t1,t1,t2,tau)
type(gpu_stream) :: stream(nV) type(gpu_stream) :: stream(nV)
do b=1,nV !$OMP PARALLEL if (no_gpu()) &
call gpu_stream_create(stream(b))
enddo
!$OMP PARALLEL &
!$OMP SHARED(nO,nV,tau,t2,t1,h_t1,stream,blas_handle) & !$OMP SHARED(nO,nV,tau,t2,t1,h_t1,stream,blas_handle) &
!$OMP PRIVATE(i,j,a,b) & !$OMP PRIVATE(i,j,a,b) &
!$OMP DEFAULT(NONE) !$OMP DEFAULT(NONE)
!$OMP DO !$OMP DO
do b=1,nV do b=1,nV
call gpu_stream_create(stream(b))
call gpu_set_stream(blas_handle,stream(b)) call gpu_set_stream(blas_handle,stream(b))
do j=1,nO do j=1,nO
call gpu_dgeam(blas_handle, 'N', 'N', nO*1_8, nV*1_8, & call gpu_dgeam_f(blas_handle, 'N', 'N', nO, nV, &
1.d0, t2%f(1,j,1,b), nO*nO*1_8, & 1.d0, t2%f(1,j,1,b), nO*nO, &
h_t1(j,b), t1%f, nO*1_8, & h_t1(j,b), t1%f, nO, &
tau%f(1,j,1,b), nO*nO*1_8) tau%f(1,j,1,b), nO*nO)
enddo enddo
enddo enddo
!$OMP END DO !$OMP END DO
!$OMP END PARALLEL !$OMP END PARALLEL
call gpu_synchronize()
do b=1,nV do b=1,nV
call gpu_stream_destroy(stream(b)) call gpu_stream_destroy(stream(b))
enddo enddo
call gpu_set_stream(blas_handle,gpu_default_stream)
end end
@ -412,7 +466,7 @@ subroutine update_tau_x_space(nO,nV,tau,tau_x)
call gpu_stream_create(stream(a)) call gpu_stream_create(stream(a))
enddo enddo
!$OMP PARALLEL & !$OMP PARALLEL if (no_gpu()) &
!$OMP SHARED(nO,nV,tau,tau_x,stream,blas_handle) & !$OMP SHARED(nO,nV,tau,tau_x,stream,blas_handle) &
!$OMP PRIVATE(i,j,a,b) & !$OMP PRIVATE(i,j,a,b) &
!$OMP DEFAULT(NONE) !$OMP DEFAULT(NONE)
@ -420,20 +474,20 @@ subroutine update_tau_x_space(nO,nV,tau,tau_x)
do b=1,nV do b=1,nV
do a=1,nV do a=1,nV
call gpu_set_stream(blas_handle,stream(a)) call gpu_set_stream(blas_handle,stream(a))
call gpu_dgeam(blas_handle, 'N', 'N', nO*1_8, nO*1_8, & call gpu_dgeam_f(blas_handle, 'N', 'N', nO, nO, &
2.d0, tau%f(1,1,a,b), nO*1_8, & 2.d0, tau%f(1,1,a,b), nO, &
-1.d0, tau%f(1,1,b,a), nO*1_8, & -1.d0, tau%f(1,1,b,a), nO, &
tau_x%f(1,1,a,b), nO*1_8) tau_x%f(1,1,a,b), nO)
enddo enddo
enddo enddo
!$OMP END DO !$OMP END DO
!$OMP END PARALLEL !$OMP END PARALLEL
call gpu_synchronize()
do b=1,nV do b=1,nV
call gpu_stream_destroy(stream(b)) call gpu_stream_destroy(stream(b))
enddo enddo
call gpu_set_stream(blas_handle,gpu_default_stream)
end end

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@ -293,62 +293,115 @@ end
! H_oo ! H_oo
subroutine compute_H_oo_chol(nO,nV,tau_x,H_oo) subroutine compute_H_oo_chol(nO,nV,tau_x,d_cc_space_f_oo, &
d_cc_space_v_ov_chol,d_cc_space_v_vo_chol,H_oo)
use gpu use gpu
implicit none implicit none
integer, intent(in) :: nO,nV integer, intent(in) :: nO,nV
type(gpu_double2), intent(in) :: d_cc_space_f_oo
type(gpu_double3), intent(in) :: d_cc_space_v_ov_chol, d_cc_space_v_vo_chol
type(gpu_double4), intent(in) :: tau_x type(gpu_double4), intent(in) :: tau_x
type(gpu_double2), intent(out) :: H_oo type(gpu_double2), intent(out) :: H_oo
integer :: a,b,i,j,u,k integer :: a,b,i,j,u,k
double precision, allocatable :: tau_kau(:,:,:), tmp_vov(:,:,:) type(gpu_double3) :: tau_kau, tmp_vov, tmp_ovv
allocate(tau_kau(cholesky_mo_num,nV,nO)) call gpu_allocate(tau_kau, cholesky_mo_num, nV, nO)
!$omp parallel &
!$omp default(shared) & ! !$omp parallel &
!$omp private(i,u,j,k,a,b,tmp_vov) ! !$omp default(shared) &
allocate(tmp_vov(nV,nO,nV) ) ! !$omp private(i,u,j,k,a,b,tmp_vov)
!$omp do ! call gpu_allocate(tmp_vov, nV, nO, nV)
do u = 1, nO ! !$omp do
! do u = 1, nO
! do b=1,nV
! do j=1,nO
! do a=1,nV
! tmp_vov%f(a,j,b) = tau_x%f(u,j,a,b)
! enddo
! enddo
! enddo
! call dgemm('N','T',cholesky_mo_num,nV,nO*nV,1.d0, &
! d_cc_space_v_ov_chol%f(1,1,1), cholesky_mo_num, tmp_vov%f, nV, &
! 0.d0, tau_kau%f(1,1,u), cholesky_mo_num)
! enddo
! !$omp end do nowait
! call gpu_deallocate(tmp_vov)
! !$omp do
! do i = 1, nO
! do u = 1, nO
! H_oo%f(u,i) = d_cc_space_f_oo%f(u,i)
! enddo
! enddo
! !$omp end do nowait
!
! !$omp barrier
! !$omp end parallel
! call dgemm('T', 'N', nO, nO, cholesky_mo_num*nV, 1.d0, &
! tau_kau%f(1,1,1), cholesky_mo_num*nV, d_cc_space_v_vo_chol%f(1,1,1), cholesky_mo_num*nV, &
! 1.d0, H_oo%f(1,1), nO)
!
type(gpu_stream) :: stream(nV)
do b=1,nV
call gpu_stream_create(stream(b))
enddo
!$OMP PARALLEL if (no_gpu()) &
!$OMP DEFAULT(SHARED) &
!$OMP PRIVATE(u,b,tmp_vov,tmp_ovv)
call gpu_allocate(tmp_vov, nV, nO, nV)
call gpu_allocate(tmp_ovv, nO, nV, nV)
!$OMP DO
do u=1,nO
call gpu_dgeam_f(blas_handle, 'N', 'N', 1, nO*nV*nV, 1.d0, &
tau_x%f(u,1,1,1), nO, 0.d0, tau_x%f, nO, tmp_ovv%f, 1)
do b=1,nV do b=1,nV
do j=1,nO call gpu_set_stream(blas_handle,stream(b))
do a=1,nV call gpu_dgeam_f(blas_handle, 'T', 'T', nV, nO, 1.d0, &
tmp_vov(a,j,b) = tau_x%f(u,j,a,b) tmp_ovv%f(1,1,b), nO, 0.d0, &
enddo tmp_ovv%f(1,1,b), nO, tmp_vov%f(1,1,b), nV)
enddo
enddo enddo
call dgemm('N','T',cholesky_mo_num,nV,nO*nV,1.d0, & call gpu_dgemm_f(blas_handle, 'N','T',cholesky_mo_num,nV,nO*nV,1.d0, &
cc_space_v_ov_chol, cholesky_mo_num, tmp_vov, nV, & d_cc_space_v_ov_chol%f, cholesky_mo_num, tmp_vov%f, nV, &
0.d0, tau_kau(1,1,u), cholesky_mo_num) 0.d0, tau_kau%f(1,1,u), cholesky_mo_num)
call gpu_synchronize()
enddo enddo
!$omp end do nowait !$OMP END DO
deallocate(tmp_vov)
!$omp do
do i = 1, nO
do u = 1, nO
H_oo%f(u,i) = cc_space_f_oo(u,i)
enddo
enddo
!$omp end do nowait
!$omp barrier
!$omp end parallel
call dgemm('T', 'N', nO, nO, cholesky_mo_num*nV, 1.d0, &
tau_kau, cholesky_mo_num*nV, cc_space_v_vo_chol, cholesky_mo_num*nV, &
1.d0, H_oo%f, nO)
call gpu_deallocate(tmp_vov)
call gpu_deallocate(tmp_ovv)
!$OMP END PARALLEL
do b=1,nV
call gpu_stream_destroy(stream(b))
enddo
call gpu_set_stream(blas_handle,gpu_default_stream)
call gpu_copy(d_cc_space_f_oo, H_oo)
call gpu_dgemm(blas_handle, 'T', 'N', nO, nO, cholesky_mo_num*nV, 1.d0, &
tau_kau, cholesky_mo_num*nV, d_cc_space_v_vo_chol, cholesky_mo_num*nV, &
1.d0, H_oo, nO)
call gpu_deallocate(tau_kau)
end end
! H_vv ! H_vv
subroutine compute_H_vv_chol(nO,nV,tau_x,H_vv) subroutine compute_H_vv_chol(nO,nV,tau_x,H_vv)
use gpu
implicit none implicit none
integer, intent(in) :: nO,nV integer, intent(in) :: nO,nV
double precision, intent(in) :: tau_x(nO, nO, nV, nV) type(gpu_double4), intent(in) :: tau_x
double precision, intent(out) :: H_vv(nV, nV) type(gpu_double2), intent(out) :: H_vv
integer :: a,b,i,j,u,k, beta integer :: a,b,i,j,u,k, beta
@ -364,7 +417,7 @@ subroutine compute_H_vv_chol(nO,nV,tau_x,H_vv)
do b=1,nV do b=1,nV
do j=1,nO do j=1,nO
do i=1,nO do i=1,nO
tmp_oov(i,j,b) = tau_x(i,j,a,b) tmp_oov(i,j,b) = tau_x%f(i,j,a,b)
enddo enddo
enddo enddo
enddo enddo
@ -378,7 +431,7 @@ subroutine compute_H_vv_chol(nO,nV,tau_x,H_vv)
!$omp do !$omp do
do beta = 1, nV do beta = 1, nV
do a = 1, nV do a = 1, nV
H_vv(a,beta) = cc_space_f_vv(a,beta) H_vv%f(a,beta) = cc_space_f_vv(a,beta)
enddo enddo
enddo enddo
!$omp end do nowait !$omp end do nowait
@ -386,7 +439,7 @@ subroutine compute_H_vv_chol(nO,nV,tau_x,H_vv)
!$omp end parallel !$omp end parallel
call dgemm('T', 'N', nV, nV, cholesky_mo_num*nO, -1.d0, & call dgemm('T', 'N', nV, nV, cholesky_mo_num*nO, -1.d0, &
tau_kia, cholesky_mo_num*nO, cc_space_v_ov_chol, cholesky_mo_num*nO, & tau_kia, cholesky_mo_num*nO, cc_space_v_ov_chol, cholesky_mo_num*nO, &
1.d0, H_vv, nV) 1.d0, H_vv%f, nV)
end end

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@ -8,4 +8,11 @@ BEGIN_PROVIDER [ type(gpu_blas), blas_handle ]
call gpu_blas_create(blas_handle) call gpu_blas_create(blas_handle)
END_PROVIDER END_PROVIDER
BEGIN_PROVIDER [ type(gpu_stream), gpu_default_stream ]
implicit none
BEGIN_DOC
! Default stream
END_DOC
gpu_default_stream%c = C_NULL_PTR
END_PROVIDER

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@ -49,7 +49,12 @@ module gpu
! ------------ ! ------------
interface interface
logical(c_bool) function no_gpu() bind(C)
import
end function
integer function gpu_ndevices() bind(C) integer function gpu_ndevices() bind(C)
import
end function end function
subroutine gpu_set_device(id) bind(C) subroutine gpu_set_device(id) bind(C)
@ -101,7 +106,7 @@ module gpu
subroutine gpu_set_stream_c(handle, stream) bind(C, name='gpu_set_stream') subroutine gpu_set_stream_c(handle, stream) bind(C, name='gpu_set_stream')
import import
type(c_ptr) :: handle, stream type(c_ptr), value :: handle, stream
end subroutine end subroutine
subroutine gpu_synchronize() bind(C) subroutine gpu_synchronize() bind(C)
@ -120,15 +125,15 @@ module gpu
subroutine gpu_ddot_c(handle, n, dx, incx, dy, incy, res) bind(C, name='gpu_ddot') subroutine gpu_ddot_c(handle, n, dx, incx, dy, incy, res) bind(C, name='gpu_ddot')
import import
type(c_ptr), intent(in) :: handle type(c_ptr), value, intent(in) :: handle
integer(c_int64_t), value :: n, incx, incy integer(c_int64_t), value :: n, incx, incy
type(c_ptr), intent(in), value :: dx, dy type(c_ptr), value :: dx, dy
real(c_double), intent(out) :: res real(c_double), intent(out) :: res
end subroutine end subroutine
subroutine gpu_sdot_c(handle, n, dx, incx, dy, incy, res) bind(C, name='gpu_sdot') subroutine gpu_sdot_c(handle, n, dx, incx, dy, incy, res) bind(C, name='gpu_sdot')
import import
type(c_ptr), intent(in) :: handle type(c_ptr), value, intent(in) :: handle
integer(c_int64_t), value :: n, incx, incy integer(c_int64_t), value :: n, incx, incy
type(c_ptr), intent(in), value :: dx, dy type(c_ptr), intent(in), value :: dx, dy
real(c_float), intent(out) :: res real(c_float), intent(out) :: res
@ -137,8 +142,8 @@ module gpu
subroutine gpu_dgeam_c(handle, transa, transb, m, n, alpha, a, lda, beta, & subroutine gpu_dgeam_c(handle, transa, transb, m, n, alpha, a, lda, beta, &
b, ldb, c, ldc) bind(C, name='gpu_dgeam') b, ldb, c, ldc) bind(C, name='gpu_dgeam')
import import
type(c_ptr), intent(in) :: handle type(c_ptr), value, intent(in) :: handle
character(c_char), intent(in), value :: transa, transb character(c_char), intent(in), value :: transa, transb
integer(c_int64_t), intent(in), value :: m, n, lda, ldb, ldc integer(c_int64_t), intent(in), value :: m, n, lda, ldb, ldc
real(c_double), intent(in), value :: alpha, beta real(c_double), intent(in), value :: alpha, beta
type(c_ptr), value :: a, b, c type(c_ptr), value :: a, b, c
@ -147,13 +152,33 @@ module gpu
subroutine gpu_sgeam_c(handle, transa, transb, m, n, alpha, a, lda, beta, & subroutine gpu_sgeam_c(handle, transa, transb, m, n, alpha, a, lda, beta, &
b, ldb, c, ldc) bind(C, name='gpu_sgeam') b, ldb, c, ldc) bind(C, name='gpu_sgeam')
import import
type(c_ptr), intent(in) :: handle type(c_ptr), value, intent(in) :: handle
character(c_char), intent(in), value :: transa, transb character(c_char), intent(in), value :: transa, transb
integer(c_int64_t), intent(in), value :: m, n, lda, ldb, ldc integer(c_int64_t), intent(in), value :: m, n, lda, ldb, ldc
real(c_float), intent(in), value :: alpha, beta real(c_float), intent(in), value :: alpha, beta
type(c_ptr), value :: a, b, c type(c_ptr), value :: a, b, c
end subroutine end subroutine
subroutine gpu_dgemm_c(handle, transa, transb, m, n, k, alpha, a, lda, &
b, ldb, beta, c, ldc) bind(C, name='gpu_dgemm')
import
type(c_ptr), value, intent(in) :: handle
character(c_char), intent(in), value :: transa, transb
integer(c_int64_t), intent(in), value :: m, n, k, lda, ldb, ldc
real(c_double), intent(in), value :: alpha, beta
type(c_ptr), value :: a, b, c
end subroutine
subroutine gpu_sgemm_c(handle, transa, transb, m, n, k, alpha, a, lda, &
b, ldb, beta, c, ldc) bind(C, name='gpu_sgemm')
import
type(c_ptr), value, intent(in) :: handle
character(c_char), intent(in), value :: transa, transb
integer(c_int64_t), intent(in), value :: m, n, k, lda, ldb, ldc
real(c_float), intent(in), value :: alpha, beta
type(c_ptr), value :: a, b, c
end subroutine
end interface end interface
@ -161,20 +186,26 @@ module gpu
! ---------------------- ! ----------------------
interface gpu_allocate interface gpu_allocate
procedure gpu_allocate_double1 & procedure gpu_allocate_double1 &
,gpu_allocate_double2 & ,gpu_allocate_double2 &
,gpu_allocate_double3 & ,gpu_allocate_double3 &
,gpu_allocate_double4 & ,gpu_allocate_double4 &
,gpu_allocate_double5 & ,gpu_allocate_double5 &
,gpu_allocate_double6 ,gpu_allocate_double6 &
,gpu_allocate_double1_64 &
,gpu_allocate_double2_64 &
,gpu_allocate_double3_64 &
,gpu_allocate_double4_64 &
,gpu_allocate_double5_64 &
,gpu_allocate_double6_64
end interface gpu_allocate end interface gpu_allocate
interface gpu_deallocate interface gpu_deallocate
procedure gpu_deallocate_double1 & procedure gpu_deallocate_double1 &
,gpu_deallocate_double2 & ,gpu_deallocate_double2 &
,gpu_deallocate_double3 & ,gpu_deallocate_double3 &
,gpu_deallocate_double4 & ,gpu_deallocate_double4 &
,gpu_deallocate_double5 & ,gpu_deallocate_double5 &
,gpu_deallocate_double6 ,gpu_deallocate_double6
end interface gpu_deallocate end interface gpu_deallocate
@ -267,6 +298,61 @@ module gpu
end subroutine end subroutine
subroutine gpu_allocate_double1_64(ptr, s)
implicit none
type(gpu_double1), intent(inout) :: ptr
integer*8, intent(in) :: s
call gpu_allocate_c(ptr%c, s)
call c_f_pointer(ptr%c, ptr%f, (/ s /))
end subroutine
subroutine gpu_allocate_double2_64(ptr, s1, s2)
implicit none
type(gpu_double2), intent(inout) :: ptr
integer*8, intent(in) :: s1, s2
call gpu_allocate_c(ptr%c, s1*s2*8_8)
call c_f_pointer(ptr%c, ptr%f, (/ s1, s2 /))
end subroutine
subroutine gpu_allocate_double3_64(ptr, s1, s2, s3)
implicit none
type(gpu_double3), intent(inout) :: ptr
integer*8, intent(in) :: s1, s2, s3
call gpu_allocate_c(ptr%c, s1*s2*s3*8_8)
call c_f_pointer(ptr%c, ptr%f, (/ s1, s2, s3 /))
end subroutine
subroutine gpu_allocate_double4_64(ptr, s1, s2, s3, s4)
implicit none
type(gpu_double4), intent(inout) :: ptr
integer*8, intent(in) :: s1, s2, s3, s4
call gpu_allocate_c(ptr%c, s1*s2*s3*s4*8_8)
call c_f_pointer(ptr%c, ptr%f, (/ s1, s2, s3, s4 /))
end subroutine
subroutine gpu_allocate_double5_64(ptr, s1, s2, s3, s4, s5)
implicit none
type(gpu_double5), intent(inout) :: ptr
integer*8, intent(in) :: s1, s2, s3, s4, s5
call gpu_allocate_c(ptr%c, s1*s2*s3*s4*s5*8_8)
call c_f_pointer(ptr%c, ptr%f, (/ s1, s2, s3, s4, s5 /))
end subroutine
subroutine gpu_allocate_double6_64(ptr, s1, s2, s3, s4, s5, s6)
implicit none
type(gpu_double6), intent(inout) :: ptr
integer*8, intent(in) :: s1, s2, s3, s4, s5, s6
call gpu_allocate_c(ptr%c, s1*s2*s3*s4*s5*s6*8_8)
call c_f_pointer(ptr%c, ptr%f, (/ s1, s2, s3, s4, s5, s6 /))
end subroutine
! gpu_deallocate ! gpu_deallocate
! -------------- ! --------------
@ -494,19 +580,38 @@ end module
subroutine gpu_ddot(handle, n, dx, incx, dy, incy, res) subroutine gpu_ddot(handle, n, dx, incx, dy, incy, res)
use gpu use gpu
type(gpu_blas), intent(in) :: handle type(gpu_blas), intent(in) :: handle
integer*8 :: n, incx, incy integer*4 :: n, incx, incy
double precision, target, intent(in) :: dx(*), dy(*) type(gpu_double1), intent(in) :: dx, dy
double precision, intent(out) :: res double precision, intent(out) :: res
call gpu_ddot_c(handle%c, n, c_loc(dx), incx, c_loc(dy), incy, res) call gpu_ddot_c(handle%c, int(n,c_int64_t), dx%c, int(incx,c_int64_t), dy%c, int(incy,c_int64_t), res)
end subroutine end subroutine
subroutine gpu_sdot(handle, n, dx, incx, dy, incy, res) subroutine gpu_ddot_f(handle, n, dx, incx, dy, incy, res)
use gpu
type(gpu_blas), intent(in) :: handle
integer*4 :: n, incx, incy
double precision, target :: dx(*), dy(*)
double precision, intent(out) :: res
call gpu_ddot_c(handle%c, int(n,c_int64_t), c_loc(dx), int(incx,c_int64_t), c_loc(dy), int(incy,c_int64_t), res)
end subroutine
subroutine gpu_ddot_64(handle, n, dx, incx, dy, incy, res)
use gpu use gpu
type(gpu_blas), intent(in) :: handle type(gpu_blas), intent(in) :: handle
integer*8 :: n, incx, incy integer*8 :: n, incx, incy
real, target, intent(in) :: dx(*), dy(*) type(gpu_double1), intent(in) :: dx, dy
real, intent(out) :: res double precision, intent(out) :: res
call gpu_sdot_c(handle%c, n, c_loc(dx), incx, c_loc(dy), incy, res) call gpu_ddot_c(handle%c, n, dx%c, incx, dy%c, incy, res)
end subroutine
subroutine gpu_ddot_f_64(handle, n, dx, incx, dy, incy, res)
use gpu
type(gpu_blas), intent(in) :: handle
integer*8 :: n, incx, incy
double precision, target :: dx(*), dy(*)
double precision, intent(out) :: res
call gpu_ddot_c(handle%c, n, c_loc(dx), incx, c_loc(dy), incy, res)
end subroutine end subroutine
@ -518,22 +623,103 @@ subroutine gpu_dgeam(handle, transa, transb, m, n, alpha, a, lda, beta, &
use gpu use gpu
type(gpu_blas), intent(in) :: handle type(gpu_blas), intent(in) :: handle
character, intent(in) :: transa, transb character, intent(in) :: transa, transb
integer*8, intent(in) :: m, n, lda, ldb, ldc integer*4, intent(in) :: m, n, lda, ldb, ldc
double precision, intent(in) :: alpha, beta double precision, intent(in) :: alpha, beta
double precision, target :: a(lda,*), b(ldb,*), c(ldc,*) type(gpu_double2) :: a, b, c
call gpu_dgeam_c(handle%c, transa, transb, m, n, alpha, c_loc(a), lda, beta, & call gpu_dgeam_c(handle%c, transa, transb, int(m,c_int64_t), int(n,c_int64_t), alpha, a%c, int(lda,c_int64_t), beta, &
c_loc(b), ldb, c_loc(c), ldc) b%c, int(ldb,c_int64_t), c%c, int(ldc,c_int64_t))
end subroutine end subroutine
subroutine gpu_sgeam(handle, transa, transb, m, n, alpha, a, lda, beta, &
subroutine gpu_dgeam_f(handle, transa, transb, m, n, alpha, a, lda, beta, &
b, ldb, c, ldc) b, ldb, c, ldc)
use gpu use gpu
type(gpu_blas), intent(in) :: handle
character, intent(in) :: transa, transb
integer*4, intent(in) :: m, n, lda, ldb, ldc
double precision, intent(in) :: alpha, beta
double precision, target :: a(*), b(*), c(*)
call gpu_dgeam_c(handle%c, transa, transb, int(m,c_int64_t), int(n,c_int64_t), alpha, c_loc(a), int(lda,c_int64_t), beta, &
c_loc(b), int(ldb,c_int64_t), c_loc(c), int(ldc,c_int64_t))
end subroutine
subroutine gpu_dgeam_64(handle, transa, transb, m, n, alpha, a, lda, beta, &
b, ldb, c, ldc)
use gpu
type(gpu_blas), intent(in) :: handle type(gpu_blas), intent(in) :: handle
character, intent(in) :: transa, transb character, intent(in) :: transa, transb
integer*8, intent(in) :: m, n, lda, ldb, ldc integer*8, intent(in) :: m, n, lda, ldb, ldc
real, intent(in) :: alpha, beta double precision, intent(in) :: alpha, beta
real, target :: a(lda,*), b(ldb,*), c(ldc,*) type(gpu_double2) :: a, b, c
call gpu_sgeam_c(handle%c, transa, transb, m, n, alpha, c_loc(a), lda, beta, & call gpu_dgeam_c(handle%c, transa, transb, int(m,c_int64_t), int(n,c_int64_t), alpha, a%c, int(lda,c_int64_t), beta, &
c_loc(b), ldb, c_loc(c), ldc) b%c, int(ldb,c_int64_t), c%c, int(ldc,c_int64_t))
end subroutine
subroutine gpu_dgeam_f_64(handle, transa, transb, m, n, alpha, a, lda, beta, &
b, ldb, c, ldc)
use gpu
type(gpu_blas), intent(in) :: handle
character, intent(in) :: transa, transb
integer*8, intent(in) :: m, n, lda, ldb, ldc
double precision, intent(in) :: alpha, beta
double precision, target :: a(*), b(*), c(*)
call gpu_dgeam_c(handle%c, transa, transb, int(m,c_int64_t), int(n,c_int64_t), alpha, c_loc(a), int(lda,c_int64_t), beta, &
c_loc(b), int(ldb,c_int64_t), c_loc(c), int(ldc,c_int64_t))
end subroutine
! gemm
! ----
subroutine gpu_dgemm(handle, transa, transb, m, n, k, alpha, a, lda, &
b, ldb, beta, c, ldc)
use gpu
type(gpu_blas), intent(in) :: handle
character, intent(in) :: transa, transb
integer*4, intent(in) :: m, n, k, lda, ldb, ldc
double precision, intent(in) :: alpha, beta
type(gpu_double2) :: a, b, c
call gpu_dgemm_c(handle%c, transa, transb, int(m,c_int64_t), int(n,c_int64_t), int(k,c_int64_t), &
alpha, a%c, int(lda,c_int64_t), &
b%c, int(ldb,c_int64_t), beta, c%c, int(ldc,c_int64_t))
end subroutine
subroutine gpu_dgemm_64(handle, transa, transb, m, n, k, alpha, a, lda, &
b, ldb, beta, c, ldc)
use gpu
type(gpu_blas), intent(in) :: handle
character, intent(in) :: transa, transb
integer*8, intent(in) :: m, n, k, lda, ldb, ldc
double precision, intent(in) :: alpha, beta
type(gpu_double2) :: a, b, c
call gpu_dgemm_c(handle%c, transa, transb, m, n, k, &
alpha, a%c, lda, b%c, ldb, beta, c%c, ldc)
end subroutine
subroutine gpu_dgemm_f(handle, transa, transb, m, n, k, alpha, a, lda, &
b, ldb, beta, c, ldc)
use gpu
type(gpu_blas), intent(in) :: handle
character, intent(in) :: transa, transb
integer*4, intent(in) :: m, n, k, lda, ldb, ldc
double precision, intent(in) :: alpha, beta
double precision, target :: a(*), b(*), c(*)
call gpu_dgemm_c(handle%c, transa, transb, int(m,c_int64_t), int(n,c_int64_t), int(k,c_int64_t), &
alpha, c_loc(a), int(lda,c_int64_t), &
c_loc(b), int(ldb,c_int64_t), beta, c_loc(c), int(ldc,c_int64_t))
end subroutine
subroutine gpu_dgemm_f_64(handle, transa, transb, m, n, k, alpha, a, lda, &
b, ldb, beta, c, ldc)
use gpu
type(gpu_blas), intent(in) :: handle
character, intent(in) :: transa, transb
integer*8, intent(in) :: m, n, k, lda, ldb, ldc
double precision, intent(in) :: alpha, beta
double precision, target :: a(*), b(*), c(*)
call gpu_dgemm_c(handle%c, transa, transb, m, n, k, &
alpha, c_loc(a), lda, c_loc(b), ldb, beta, c_loc(c), ldc)
end subroutine end subroutine