Match comparison for Hartree energy (match type 30494)

Commits > Commit 7340c9717a63bb8691685536ab6dd281015dc066 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936993840295e+03 1.244739880604756e-05 3.988936987030000e+03 1.684999983808666e-05 PASS
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Detailed information

Reference: 3988.9369874000004, precision: 0.0000467
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.988936970260000e+03 -1.714000018182560e-05 -3.670235584973362e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937003880000e+03 1.647999943088507e-05 3.528907801046055e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_min_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
intel_autotools: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 3.192719413995607e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988936970180000e+03 -1.722000024528825e-05 -3.687366219547805e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937003660000e+03 1.625999948373646e-05 3.481798604654490e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 3.460385360124589e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937002170000e+03 1.476999977967353e-05 3.162740852178486e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 1.950749381111558e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988937001100000e+03 1.369999972666847e-05 2.933618785153848e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988937003870000e+03 1.646999953663908e-05 3.526766496068325e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.988937002870000e+03 1.546999965285067e-05 3.312633758640401e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.988937003170000e+03 1.576999966346193e-05 3.376873589606409e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003550000e+03 1.614999973753584e-05 3.458244055146860e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988937003250000e+03 1.584999972692458e-05 3.394004224180852e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937003810000e+03 1.640999971641577e-05 3.513918568825646e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003070000e+03 1.566999981150730e-05 3.355460345076509e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003580000e+03 1.617999942027382e-05 3.464667970080046e-01 PASS