Match comparison for Hartree energy (match type 30494)

Commits > Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936993814063e+03 1.185604217418232e-05 3.988936987415000e+03 1.633499982744979e-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-full] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.988937003070000e+03 1.566999981150730e-05 3.355460345076509e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937000650000e+03 1.324999948337791e-05 2.837258990016682e-01 PASS
foss-serial-min: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-serial-min: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-serial-min: [foss2023b-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-full: [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-full: [foss2023b-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
intel-serial: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 3.192719413995607e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-ppc: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
intel-omp: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 1.950749381111558e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988936971080000e+03 -1.632000021345448e-05 -3.494646726649781e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.988937002360000e+03 1.495999958933680e-05 3.203426036260558e-01 PASS
foss-omp-full: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
intel-omp: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 3.460385360124589e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937002150000e+03 1.474999953643419e-05 3.158458144846721e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.988937002010000e+03 1.460999965274823e-05 3.128479583029600e-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
intel_mpi_autotools: [intel2023a-mpi] 3.988936988300000e+03 8.999995770864189e-07 1.927193955217171e-02 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-omp-full: [foss2023a-mpi] 3.988937003500000e+03 1.609999981155852e-05 3.447537432881910e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003410000e+03 1.600999985384988e-05 3.428265493329739e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 3.988937001960000e+03 1.455999972677091e-05 3.117772960764649e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.988937003750000e+03 1.634999944144511e-05 3.501070544206661e-01 PASS