Match comparison for External energy (match type 26862)

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.194568794900000e+02 7.830000000000000e-06 -8.194568848973684e+02 4.323389053178178e-06 -8.194568794950001e+02 7.124999967800250e-06 PASS
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Detailed information

Reference: -819.45687949, precision: 0.00000783
Run Value Difference Relative difference Status
foss-serial-zen4: [foss2023a-serial] -8.194568865799999e+02 -7.089999940035341e-06 -9.054916909368252e-01 PASS
intel-serial: [intel2023a-serial] -8.194568864300001e+02 -6.940000048416550e-06 -8.863346166560090e-01 PASS
foss-serial-debug: [foss2023a-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
intel-min-parallel: [intel2022a-mpi] -8.194568866200000e+02 -7.129999971766665e-06 -9.106002518220518e-01 PASS
intel-parallel: [intel2023a-mpi] -8.194568865100000e+02 -7.019999998192361e-06 -8.965517239070704e-01 PASS
foss-parallel-zen4: [foss2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-min-parallel-zen4: [foss2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-serial: [foss2023a-serial] -8.194568723700000e+02 7.119999963833834e-06 9.093231116007452e-01 PASS
foss-parallel-debug: [foss2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
ppc: [foss2023a-serial] -8.194568865200000e+02 -7.030000006125192e-06 -8.978288641283770e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] -8.194568850300000e+02 -5.539999961001740e-06 -7.075351163476041e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
intel-serial-debug: [intel2023a-serial] -8.194568864300001e+02 -6.940000048416550e-06 -8.863346166560090e-01 PASS
foss-parallel: [foss2023a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
foss-min-parallel: [foss2023b-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS
intel-parallel-debug: [intel2023a-mpi] -8.194568865100000e+02 -7.019999998192361e-06 -8.965517239070704e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] -8.194568849600000e+02 -5.470000019158761e-06 -6.985951493178494e-01 PASS
foss-min-parallel: [foss2022a-mpi] -8.194568865900000e+02 -7.099999947968172e-06 -9.067688311581319e-01 PASS