Match comparison for Hartree energy (match type 30494)

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 1.800000000000000e-05 3.988936995163334e+03 1.173581818052877e-05 3.988936987615000e+03 1.606499995432387e-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_min_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_autotools: [foss2022a-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: [foss2023a-mpi] 3.988937003160000e+03 1.575999976921594e-05 8.755555427342188e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] 3.988937000030000e+03 1.262999967366341e-05 7.016666485368559e-01 PASS
foss_autotools: [foss2023b-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: [foss2023a-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_omp_autotools: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -8.638888983922597e-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] 3.988937002050000e+03 1.464999968447955e-05 8.138888713599751e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937003420000e+03 1.601999974809587e-05 8.899999860053260e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937003680000e+03 1.627999972697580e-05 9.044444292764334e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 5.061110894328319e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988937003670000e+03 1.626999983272981e-05 9.038888795961004e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988937003150000e+03 1.574999942022259e-05 8.749999677901441e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 8.977777573212127e-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] 3.988936971550000e+03 -1.585000018167193e-05 -8.805555656484405e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988937003560000e+03 1.615999963178183e-05 8.977777573212127e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 6.383333028578717e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937003180000e+03 1.577999955770792e-05 8.766666420948847e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003510000e+03 1.610999970580451e-05 8.949999836558062e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003290000e+03 1.588999975865590e-05 8.827777643697724e-01 PASS