Match comparison for Hartree energy (match type 30494)

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 2.030000000000000e-05 3.988936995828750e+03 1.117509050890613e-05 3.988936987830000e+03 1.597999994373822e-05 PASS
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Detailed information

Reference: 3988.9369874000004, precision: 0.0000203
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -6.596059249536240e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -6.596059249536240e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_min_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -6.596059249536240e-01 PASS
intel_autotools: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 7.344827420374131e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.988937003040000e+03 1.563999967402196e-05 7.704433336956633e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.988937003420000e+03 1.601999974809587e-05 7.891625491672842e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.088670123262409e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.088670123262409e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988937003430000e+03 1.602999964234186e-05 7.896551547951657e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -7.660098606433829e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937003220000e+03 1.581999958943925e-05 7.793103246029187e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988936999010000e+03 1.160999954663566e-05 5.719211599327914e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 7.960590951616665e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988937003180000e+03 1.577999955770792e-05 7.773398796900456e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 4.487684536842845e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 7.980295400745396e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988937003570000e+03 1.616999952602782e-05 7.965517007895480e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003320000e+03 1.591999944139388e-05 7.842364256844279e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937002520000e+03 1.511999971626210e-05 7.448275722296601e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003470000e+03 1.606999967407319e-05 7.916255997080388e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988937003030000e+03 1.562999977977597e-05 7.699507280677819e-01 PASS
foss_cmake_ceph: [foss2022a-mpi, foss-min-mpi] 3.988937003810000e+03 1.640999971641577e-05 8.083743702667867e-01 PASS
foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi] 3.988937003350000e+03 1.594999957887921e-05 7.857142649694195e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988936977500000e+03 -9.900000350171467e-06 -4.876847463138654e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 5.660098251941720e-01 PASS