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fill rij with zero #818

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Merged
amcadmus merged 1 commit into from
Jul 1, 2021
Merged

fill rij with zero #818

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2 changes: 2 additions & 0 deletions source/lib/src/cuda/prod_env_mat.cu
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Original file line number Diff line number Diff line change
Expand Up @@ -502,6 +502,7 @@ void prod_env_mat_a_gpu_cuda(
const int ndescrpt = nnei * 4;
cudaErrcheck(cudaMemset(em, 0.0, sizeof(FPTYPE) * nloc * ndescrpt));
cudaErrcheck(cudaMemset(em_deriv, 0.0, sizeof(FPTYPE) * nloc * ndescrpt * 3));
cudaErrcheck(cudaMemset(rij, 0., sizeof(FPTYPE) * nloc * nnei * 3));

format_nbor_list_gpu_cuda(
nlist,
Expand Down Expand Up @@ -538,6 +539,7 @@ void prod_env_mat_r_gpu_cuda(
const int ndescrpt = nnei * 1;
cudaErrcheck(cudaMemset(em, 0.0, sizeof(FPTYPE) * nloc * ndescrpt));
cudaErrcheck(cudaMemset(em_deriv, 0.0, sizeof(FPTYPE) * nloc * ndescrpt * 3));
cudaErrcheck(cudaMemset(rij, 0., sizeof(FPTYPE) * nloc * nnei * 3));

format_nbor_list_gpu_cuda(
nlist,
Expand Down
2 changes: 2 additions & 0 deletions source/lib/src/rocm/prod_env_mat.hip.cu
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Original file line number Diff line number Diff line change
Expand Up @@ -504,6 +504,7 @@ void prod_env_mat_a_gpu_rocm(
const int ndescrpt = nnei * 4;
hipErrcheck(hipMemset(em, 0.0, sizeof(FPTYPE) * nloc * ndescrpt));
hipErrcheck(hipMemset(em_deriv, 0.0, sizeof(FPTYPE) * nloc * ndescrpt * 3));
hipErrcheck(hipMemset(rij, 0., sizeof(FPTYPE) * nloc * nnei * 3));

format_nbor_list_gpu_rocm(
nlist,
Expand Down Expand Up @@ -540,6 +541,7 @@ void prod_env_mat_r_gpu_rocm(
const int ndescrpt = nnei * 1;
hipErrcheck(hipMemset(em, 0.0, sizeof(FPTYPE) * nloc * ndescrpt));
hipErrcheck(hipMemset(em_deriv, 0.0, sizeof(FPTYPE) * nloc * ndescrpt * 3));
hipErrcheck(hipMemset(rij, 0., sizeof(FPTYPE) * nloc * nnei * 3));

format_nbor_list_gpu_rocm(
nlist,
Expand Down