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Multi-GPU
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@ -4,7 +4,6 @@
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#include <cublas_v2.h>
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#include <cuda_runtime.h>
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#define NGPUS 2
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#define BLOCK_SIZE 16
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void dgemm_(char*, char*, int*, int*, int*, double*, double*, int*, double*, int*,
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@ -66,34 +65,31 @@ void compute_r2_space_chol_gpu(const int nO, const int nV, const int cholesky_mo
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double* cc_space_v_vv_chol,
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double* r2)
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{
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int m,n,k, lda, ldb, ldc;
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double alpha, beta;
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double* A;
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double* B;
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double* C;
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double* d_tau;
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double* d_r2;
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double* d_cc_space_v_vv_chol;
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double* d_cc_space_v_vo_chol;
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double* d_t1;
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double* d_tmp_cc;
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double* d_taus[NGPUS];
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double* d_r2s[NGPUS];
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double* d_cc_space_v_vv_chols[NGPUS];
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double* d_cc_space_v_vo_chols[NGPUS];
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double* d_t1s[NGPUS];
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double* d_tmp_ccs[NGPUS];
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int ngpus;
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cudaGetDeviceCount(&ngpus);
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cublasHandle_t handles[NGPUS];
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#pragma omp parallel
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#pragma omp parallel num_threads(ngpus)
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{
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int m,n,k, lda, ldb, ldc;
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double alpha, beta;
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double* A;
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double* B;
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double* C;
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int ithread = omp_get_thread_num();
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int igpu = ithread % NGPUS;
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int igpu = ithread ;
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cudaSetDevice(igpu);
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cublasHandle_t handle;
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if (ithread < NGPUS) {
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cublasCreate(&handles[ithread]);
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}
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#pragma omp barrier
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cublasHandle_t handle = handles[igpu];
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cublasCreate(&handle);
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double* d_tau;
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double* d_r2;
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@ -102,49 +98,32 @@ void compute_r2_space_chol_gpu(const int nO, const int nV, const int cholesky_mo
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double* d_t1;
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double* d_tmp_cc;
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if (ithread < NGPUS) {
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lda = nO * nO;
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cudaMalloc((void **)&d_tau, lda * nV * nV * sizeof(double));
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cublasSetMatrix(nO*nO, nV*nV, sizeof(double), tau, lda, d_tau, lda);
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d_taus[igpu] = d_tau;
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lda = nO * nO;
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cudaMalloc((void **)&d_tau, lda * nV * nV * sizeof(double));
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cublasSetMatrix(nO*nO, nV*nV, sizeof(double), tau, lda, d_tau, lda);
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lda = nO * nO;
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cudaMalloc((void **)&d_r2, lda * nV * nV * sizeof(double));
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d_r2s[igpu] = d_r2;
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lda = nO * nO;
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cudaMalloc((void **)&d_r2, lda * nV * nV * sizeof(double));
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lda = cholesky_mo_num * nV;
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cudaMalloc((void **)&d_cc_space_v_vv_chol, lda * nV * sizeof(double));
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cublasSetMatrix(cholesky_mo_num*nV, nV, sizeof(double), cc_space_v_vv_chol, lda, d_cc_space_v_vv_chol, lda);
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d_cc_space_v_vv_chols[igpu] = d_cc_space_v_vv_chol;
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lda = cholesky_mo_num * nV;
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cudaMalloc((void **)&d_cc_space_v_vv_chol, lda * nV * sizeof(double));
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cublasSetMatrix(cholesky_mo_num*nV, nV, sizeof(double), cc_space_v_vv_chol, lda, d_cc_space_v_vv_chol, lda);
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lda = cholesky_mo_num * nV;
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cudaMalloc((void **)&d_cc_space_v_vo_chol, lda * nO * sizeof(double));
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cublasSetMatrix(cholesky_mo_num*nV, nO, sizeof(double), cc_space_v_vo_chol, lda, d_cc_space_v_vo_chol, lda);
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d_cc_space_v_vo_chols[igpu] = d_cc_space_v_vo_chol;
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lda = cholesky_mo_num * nV;
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cudaMalloc((void **)&d_cc_space_v_vo_chol, lda * nO * sizeof(double));
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cublasSetMatrix(cholesky_mo_num*nV, nO, sizeof(double), cc_space_v_vo_chol, lda, d_cc_space_v_vo_chol, lda);
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lda = nO;
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cudaMalloc((void **)&d_t1, nO * nV * sizeof(double));
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cublasSetMatrix(nO, nV, sizeof(double), t1, lda, d_t1, lda);
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d_t1s[igpu] = d_t1;
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lda = nO;
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cudaMalloc((void **)&d_t1, nO * nV * sizeof(double));
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cublasSetMatrix(nO, nV, sizeof(double), t1, lda, d_t1, lda);
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lda = cholesky_mo_num * nV;
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cudaMalloc((void **)&d_tmp_cc, lda * nV * sizeof(double));
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d_tmp_ccs[igpu] = d_tmp_cc;
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lda = cholesky_mo_num * nV;
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cudaMalloc((void **)&d_tmp_cc, lda * nV * sizeof(double));
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alpha=1.0; beta=0.0;
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m=cholesky_mo_num*nV; n=nV; k=nO;
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A = d_cc_space_v_vo_chol; B = d_t1; C = d_tmp_cc;
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cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, m, n, k, &alpha, A, m, B, k, &beta, C, m);
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}
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#pragma omp barrier
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d_tau = d_taus[igpu] ;
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d_r2 = d_r2s[igpu] ;
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d_cc_space_v_vv_chol = d_cc_space_v_vv_chols[igpu] ;
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d_cc_space_v_vo_chol = d_cc_space_v_vo_chols[igpu] ;
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d_t1 = d_t1s[igpu] ;
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d_tmp_cc = d_tmp_ccs[igpu] ;
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alpha=1.0; beta=0.0;
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m=cholesky_mo_num*nV; n=nV; k=nO;
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A = d_cc_space_v_vo_chol; B = d_t1; C = d_tmp_cc;
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cublasDgemm(handle, CUBLAS_OP_N, CUBLAS_OP_N, m, n, k, &alpha, A, m, B, k, &beta, C, m);
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double* d_tmp_cc2;
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cudaMalloc((void **)&d_tmp_cc2, cholesky_mo_num*nV*sizeof(double));
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@ -213,27 +192,24 @@ void compute_r2_space_chol_gpu(const int nO, const int nV, const int cholesky_mo
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cudaFree(d_B1);
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cudaFree(d_tmp_cc2);
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if (igpu < NGPUS) {
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cudaFree(d_cc_space_v_vo_chol);
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cudaFree(d_cc_space_v_vv_chol);
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cudaFree(d_tau);
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cudaFree(d_t1);
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cudaFree(d_tmp_cc);
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double * r2_tmp = malloc(nO*nO*nV*nV*sizeof(double));
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lda=nO*nO;
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cublasGetMatrix(nO*nO, nV*nV, sizeof(double), d_r2, lda, r2_tmp, lda);
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#pragma omp critical
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{
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for (size_t i=0 ; i<nO*nO*nV*nV ; ++i) {
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r2[i] += r2_tmp[i];
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}
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}
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free(r2_tmp);
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cudaFree(d_r2);
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cublasDestroy(handle);
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}
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cudaFree(d_cc_space_v_vo_chol);
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cudaFree(d_cc_space_v_vv_chol);
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cudaFree(d_tau);
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cudaFree(d_t1);
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cudaFree(d_tmp_cc);
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double * r2_tmp = malloc(nO*nO*nV*nV*sizeof(double));
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lda=nO*nO;
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cublasGetMatrix(nO*nO, nV*nV, sizeof(double), d_r2, lda, r2_tmp, lda);
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#pragma omp critical
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{
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for (size_t i=0 ; i<nO*nO*nV*nV ; ++i) {
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r2[i] += r2_tmp[i];
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}
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}
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free(r2_tmp);
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cudaFree(d_r2);
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cublasDestroy(handle);
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}
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}
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