Match comparison for Hartree energy (match type 30494)

Commits > Commit c335ce26b11dabfe3619506d15cfc1285f92daaf > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936993180607e+03 1.365041474900313e-05 3.988936977255000e+03 2.647499991326185e-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] 3.988937001510000e+03 1.410999948348035e-05 3.021413165627485e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937000650000e+03 1.324999948337791e-05 2.837258990016682e-01 PASS
foss-serial-min: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss-serial-min: [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-serial-min: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-serial-full: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-opt-full: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss-serial-full: [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_cmake: [foss2022a-mpi, foss-full-mpi] 3.988936950780000e+03 -3.662000017357059e-05 -7.841541793055801e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937003680000e+03 1.627999972697580e-05 3.486081311986253e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 1.950749381111558e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 3.460385360124589e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937002220000e+03 1.481999970565084e-05 3.173447474443435e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.988936977750000e+03 -9.650000265537528e-06 -2.066381213177201e-01 PASS
foss-omp-full: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.988937003670000e+03 1.626999983272981e-05 3.483940007008525e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.988937003670000e+03 1.626999983272981e-05 3.483940007008525e-01 PASS
foss-mpi-min: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss-mpi-min: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.988937001370000e+03 1.396999959979439e-05 2.991434603810362e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003700000e+03 1.629999951546779e-05 3.490363921941711e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988937003730000e+03 1.632999965295312e-05 3.496787934251204e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937003080000e+03 1.567999970575329e-05 3.357601650054238e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003480000e+03 1.607999956831918e-05 3.443254725550146e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003200000e+03 1.579999980094726e-05 3.383297601915902e-01 PASS