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Cleaning C
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@ -12,7 +12,6 @@ void gpu_upload(gpu_data* data,
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double* t2)
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{
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int lda;
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const int cholesky_mo_num = data->cholesky_mo_num;
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int ngpus = 1;
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if (MULTIGPU == 1) cudaGetDeviceCount(&ngpus);
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@ -33,7 +32,7 @@ void gpu_upload(gpu_data* data,
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lda = nO*nO;
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cublasSetMatrix(nO*nO, nV*nV, sizeof(double), t2, lda, d_t2, lda);
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int m,n,k, lda, ldb, ldc;
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int 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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@ -219,7 +218,6 @@ void compute_h_vo_chol_gpu(gpu_data* data, int igpu)
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double* d_t1 = data[igpu].t1;
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double* d_H_vo = data[igpu].H_vo;
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double* d_tau_x = data[igpu].tau_x;
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double* d_cc_space_f_vo = data[igpu].cc_space_f_vo;
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double* d_cc_space_v_ov_chol = data[igpu].cc_space_v_ov_chol;
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double* d_cc_space_v_vo_chol = data[igpu].cc_space_v_vo_chol;
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@ -430,9 +428,7 @@ void compute_r2_space_chol_gpu(gpu_data* data, int nO, int nV, double* t1, doubl
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double* d_cc_space_v_ovvo = data[igpu].cc_space_v_ovvo;
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double* d_cc_space_v_ovov = data[igpu].cc_space_v_ovov;
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double* d_cc_space_v_ovoo = data[igpu].cc_space_v_ovoo;
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double* d_cc_space_f_oo = data[igpu].cc_space_f_oo;
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double* d_cc_space_f_vo = data[igpu].cc_space_f_vo;
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double* d_cc_space_f_vv = data[igpu].cc_space_f_vv;
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double* d_tau = data[igpu].tau;
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double* d_t1 = data[igpu].t1;
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double* d_t2 = data[igpu].t2;
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@ -2004,12 +2000,6 @@ double ccsd_energy_space_gpu(gpu_data* data)
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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 igpu = omp_get_thread_num();
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cudaSetDevice(igpu);
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