Match comparison for Exchange energy (match type 26859)

Commits > Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.459613532500001e+01 1.040000000000000e-07 -7.459613535312499e+01 8.106469283819421e-08 -7.459613532500001e+01 9.499999720219421e-08 PASS
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Detailed information

Reference: -74.596135325, precision: 0.000000104
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-serial-min: [foss2022a-serial] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
foss-serial-min: [foss2023a-serial] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
intel_autotools: [intel2023a-serial] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-opt-full: [foss2023a-serial] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
foss-serial-min: [foss2023b-serial] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
foss-serial-full: [foss2023a-serial] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
foss-serial-full: [foss2023b-serial] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-ppc: [foss2022a-serial] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
intel_omp_autotools: [intel2022a-serial] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
intel_omp_autotools: [intel2023a-serial] -7.459613542000000e+01 -9.499999009676685e-08 -9.134614432381427e-01 PASS
foss-serial-debug: [foss2023a-serial] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
foss-omp-full: [foss2023a-serial] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-mpi-full: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-mpi-min: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-mpi-min: [foss2022a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -7.459613523000000e+01 9.500000430762157e-08 9.134615798809765e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -7.459613541000000e+01 -8.499999637479050e-08 -8.173076574499086e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -7.459613530000000e+01 2.500000562122295e-08 2.403846694348361e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -7.459613530999999e+01 1.500001189924660e-08 1.442308836466019e-01 PASS