From 6da1b73442579dc1141eff075e7a1b87fc1fbf46 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 26 Jan 2023 18:42:34 +0100 Subject: [PATCH] Cleaning --- org/qmckl_jastrow.org | 8 ++++---- org/qmckl_local_energy.org | 4 ++-- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/org/qmckl_jastrow.org b/org/qmckl_jastrow.org index 34f201d..c7e06ea 100644 --- a/org/qmckl_jastrow.org +++ b/org/qmckl_jastrow.org @@ -7348,7 +7348,7 @@ qmckl_exit_code qmckl_provide_tmp_c(qmckl_context context) ctx->jastrow.tmp_c_date = ctx->date; } - return QMCKL_SUCCESS; + return rc; } qmckl_exit_code qmckl_provide_dtmp_c(qmckl_context context) @@ -7366,7 +7366,7 @@ qmckl_exit_code qmckl_provide_dtmp_c(qmckl_context context) if (ctx->electron.walker.num > ctx->electron.walker_old.num) { if (ctx->jastrow.dtmp_c != NULL) { - qmckl_exit_code rc = qmckl_free(context, ctx->jastrow.dtmp_c); + rc = qmckl_free(context, ctx->jastrow.dtmp_c); if (rc != QMCKL_SUCCESS) { return qmckl_failwith( context, rc, "qmckl_provide_dtmp_c", @@ -8345,7 +8345,6 @@ qmckl_compute_tmp_c_cublas_offload (const qmckl_context context, const double* een_rescaled_n, double* const tmp_c ) { - qmckl_exit_code info; if (context == QMCKL_NULL_CONTEXT) { return QMCKL_INVALID_CONTEXT; @@ -8391,6 +8390,7 @@ qmckl_compute_tmp_c_cublas_offload (const qmckl_context context, { for (int nw=0; nw < walk_num; ++nw) { + // /!\ cublasError needs to be checked and return QMCKL_FAILURE if it fails int cublasError = cublasDgemmStridedBatched(handle, CUBLAS_OP_N, CUBLAS_OP_N, M, N, K, &alpha, &(een_rescaled_e[nw*(cord_num+1)]), LDA, af, @@ -8404,7 +8404,7 @@ qmckl_compute_tmp_c_cublas_offload (const qmckl_context context, #pragma omp target exit data map(from:tmp_c[0:elec_num*nucl_num*(cord_num+1)*cord_num*walk_num]) cublasDestroy(handle); - return info; + return QMCKL_SUCCESS; } #endif diff --git a/org/qmckl_local_energy.org b/org/qmckl_local_energy.org index 0916e86..5ddeb39 100644 --- a/org/qmckl_local_energy.org +++ b/org/qmckl_local_energy.org @@ -198,9 +198,9 @@ bool qmckl_local_energy_provided(const qmckl_context context) { qmckl_exit_code rc; - if(!qmckl_electron_provided(context)) return QMCKL_NOT_PROVIDED; + if(!qmckl_electron_provided(context)) return false; - if(!qmckl_nucleus_provided(context)) return QMCKL_NOT_PROVIDED; + if(!qmckl_nucleus_provided(context)) return false; rc = qmckl_provide_ao_basis_ao_vgl(context); if (rc != QMCKL_SUCCESS) return rc;