Match comparison for Kinetic energy (match type 26861)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.740758272200000e+02 2.370000000000000e-07 1.740758270386666e+02 1.072608451003475e-07 1.740758272250000e+02 2.150000000256114e-07 PASS

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Detailed information

Reference: 174.07582722, precision: 0.000000237
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_min_autotools: [foss2022a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_min_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_min_autotools: [foss2023b-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_autotools: [foss2022a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_opt_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
intel_autotools: [intel2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_autotools: [foss2023b-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_omp_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
intel_omp_autotools: [intel2022a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
intel_omp_autotools: [intel2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_debug_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.740758274400000e+02 2.200000039920269e-07 9.282700590380882e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.740758274400000e+02 2.200000039920269e-07 9.282700590380882e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS