Match comparison for Hartree energy (match type 30494)

Commits > Commit 16cdfcecc1be9b3eac0dbe4ff8b1dc79e6b9a001 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 1.800000000000000e-05 3.988936995943667e+03 1.085723549687102e-05 3.988936987800000e+03 1.594999980625289e-05 PASS
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Detailed information

Reference: 3988.9369874000004, precision: 0.000018
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] 3.988937003550000e+03 1.614999973753584e-05 8.972222076408798e-01 PASS
foss_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_cmake_mpi_min: [foss2023a-mpi] 3.988936998240000e+03 1.083999950424186e-05 6.022221946801033e-01 PASS
foss_min_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
intel_autotools: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 8.283333146310825e-01 PASS
foss_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.738889083457049e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.738889083457049e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988936997820000e+03 1.041999985318398e-05 5.788888807324434e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -8.638888983922597e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937003380000e+03 1.597999971636455e-05 8.877777620202525e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 5.061110894328319e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 8.977777573212127e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937002400000e+03 1.499999962106813e-05 8.333333122815626e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988937003750000e+03 1.634999944144511e-05 9.083333023025059e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988937003480000e+03 1.607999956831918e-05 8.933333093510656e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 8.999999813062863e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003400000e+03 1.599999950485653e-05 8.888888613809185e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988937000930000e+03 1.352999970549718e-05 7.516666503053986e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937003560000e+03 1.615999963178183e-05 8.977777573212127e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003550000e+03 1.614999973753584e-05 8.972222076408798e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 6.383333028578717e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003600000e+03 1.619999966351315e-05 8.999999813062863e-01 PASS