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qp_plugins_scemama/devel/ccsd_gpu/gpu_init.c
2023-08-03 01:21:16 +02:00

113 lines
4.5 KiB
C

#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <omp.h>
#include <cublas_v2.h>
#include <cuda_runtime.h>
#include "gpu.h"
#define BLOCK_SIZE 16
gpu_data* gpu_init(
int nO, int nV, int cholesky_mo_num,
double* cc_space_v_oo_chol, double* cc_space_v_ov_chol,
double* cc_space_v_vo_chol, double* cc_space_v_vv_chol,
double* cc_space_v_oooo, double* cc_space_v_vooo,
double* cc_space_v_oovv, double* cc_space_v_vvoo,
double* cc_space_v_oovo, double* cc_space_v_ovvo,
double* cc_space_v_ovov, double* cc_space_v_ovoo,
double* cc_space_f_vo)
{
int ngpus = 1;
cudaGetDeviceCount(&ngpus);
gpu_data* data = (gpu_data*) malloc (ngpus*sizeof(gpu_data));
#pragma omp parallel num_threads(ngpus)
{
int lda;
int igpu = omp_get_thread_num();
cudaSetDevice(igpu);
cublasHandle_t handle;
cublasCreate(&handle);
double* d_cc_space_v_oo_chol;
lda = cholesky_mo_num * nO;
cudaMalloc((void **)&d_cc_space_v_oo_chol, lda * nO * sizeof(double));
cublasSetMatrix(cholesky_mo_num*nO, nO, sizeof(double), cc_space_v_oo_chol, lda, d_cc_space_v_oo_chol, lda);
double* d_cc_space_v_ov_chol;
lda = cholesky_mo_num * nO;
cudaMalloc((void **)&d_cc_space_v_ov_chol, lda * nV * sizeof(double));
cublasSetMatrix(cholesky_mo_num*nO, nV, sizeof(double), cc_space_v_ov_chol, lda, d_cc_space_v_ov_chol, lda);
double* d_cc_space_v_vo_chol;
lda = cholesky_mo_num * nV;
cudaMalloc((void **)&d_cc_space_v_vo_chol, lda * nO * sizeof(double));
cublasSetMatrix(cholesky_mo_num*nV, nO, sizeof(double), cc_space_v_vo_chol, lda, d_cc_space_v_vo_chol, lda);
double* d_cc_space_v_vv_chol;
lda = cholesky_mo_num * nV;
cudaMalloc((void **)&d_cc_space_v_vv_chol, lda * nV * sizeof(double));
cublasSetMatrix(cholesky_mo_num*nV, nV, sizeof(double), cc_space_v_vv_chol, lda, d_cc_space_v_vv_chol, lda);
double* d_cc_space_v_oooo;
cudaMalloc((void**)&d_cc_space_v_oooo, nO*nO*nO*nO*sizeof(double));
cublasSetMatrix(nO*nO, nO*nO, sizeof(double), cc_space_v_oooo, nO*nO, d_cc_space_v_oooo, nO*nO);
double* d_cc_space_v_vooo;
cudaMalloc((void**)&d_cc_space_v_vooo, nV*nO*nO*nO*sizeof(double));
cublasSetMatrix(nV*nO, nO*nO, sizeof(double), cc_space_v_vooo, nV*nO, d_cc_space_v_vooo, nV*nO);
double* d_cc_space_v_oovv;
cudaMalloc((void**)&d_cc_space_v_oovv, nO*nO*nV*nV*sizeof(double));
cublasSetMatrix(nO*nO, nV*nV, sizeof(double), cc_space_v_oovv, nO*nO, d_cc_space_v_oovv, nO*nO);
double* d_cc_space_v_vvoo;
cudaMalloc((void**)&d_cc_space_v_vvoo, nV*nV*nO*nO*sizeof(double));
cublasSetMatrix(nV*nV, nO*nO, sizeof(double), cc_space_v_vvoo, nV*nV, d_cc_space_v_vvoo, nV*nV);
double* d_cc_space_v_oovo;
lda = nO*nO;
cudaMalloc((void **)&d_cc_space_v_oovo, nO*nO*nV*nO * sizeof(double));
cublasSetMatrix(lda, nV*nO, sizeof(double), cc_space_v_oovo, lda, d_cc_space_v_oovo, lda);
double* d_cc_space_v_ovvo;
lda = nO*nV;
cudaMalloc((void **)&d_cc_space_v_ovvo, nO*nV*nV*nO * sizeof(double));
cublasSetMatrix(lda, nV*nO, sizeof(double), cc_space_v_ovvo, lda, d_cc_space_v_ovvo, lda);
double* d_cc_space_v_ovov;
lda = nO*nV;
cudaMalloc((void **)&d_cc_space_v_ovov, nO*nV*nV*nO * sizeof(double));
cublasSetMatrix(lda, nV*nO, sizeof(double), cc_space_v_ovov, lda, d_cc_space_v_ovov, lda);
double* d_cc_space_v_ovoo;
lda = nO*nV;
cudaMalloc((void **)&d_cc_space_v_ovoo, nO*nV*nO*nO * sizeof(double));
cublasSetMatrix(lda, nO*nO, sizeof(double), cc_space_v_ovoo, lda, d_cc_space_v_ovoo, lda);
double* d_cc_space_f_vo;
cudaMalloc((void**)&d_cc_space_f_vo, nV*nO*sizeof(double));
cublasSetMatrix(nV, nO, sizeof(double), cc_space_f_vo, nV, d_cc_space_f_vo, nV);
data[igpu].cc_space_v_oo_chol = d_cc_space_v_oo_chol;
data[igpu].cc_space_v_ov_chol = d_cc_space_v_ov_chol;
data[igpu].cc_space_v_vo_chol = d_cc_space_v_vo_chol;
data[igpu].cc_space_v_vv_chol = d_cc_space_v_vv_chol;
data[igpu].cc_space_v_oooo = d_cc_space_v_oooo;
data[igpu].cc_space_v_vooo = d_cc_space_v_vooo;
data[igpu].cc_space_v_oovv = d_cc_space_v_oovv;
data[igpu].cc_space_v_vvoo = d_cc_space_v_vvoo;
data[igpu].cc_space_v_oovo = d_cc_space_v_oovo;
data[igpu].cc_space_v_ovvo = d_cc_space_v_ovvo;
data[igpu].cc_space_v_ovov = d_cc_space_v_ovov;
data[igpu].cc_space_v_ovoo = d_cc_space_v_ovoo;
data[igpu].cc_space_f_vo = d_cc_space_f_vo;
}
return data;
}