Match comparison for Hartree energy (match type 30494)

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936995082187e+03 1.119566199487873e-05 3.988936987765000e+03 1.591499994901824e-05 PASS
Checks do not indicate problems with this match.
Loading plot...
Get updated match line Get updated match line with fixed reference

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-serial-min: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.988937003550000e+03 1.614999973753584e-05 3.458244055146860e-01 PASS
foss-serial-min: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937000650000e+03 1.324999948337791e-05 2.837258990016682e-01 PASS
foss-serial-full: [foss2023b-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-opt-full: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss-ppc: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
foss-serial-full: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-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-omp-full: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.988937003630000e+03 1.622999980099848e-05 3.475374689721303e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003260000e+03 1.585999962117057e-05 3.396145529158581e-01 PASS
intel-serial: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 3.192719413995607e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.988937003310000e+03 1.590999954714789e-05 3.406852151423531e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988937003610000e+03 1.620999955775915e-05 3.471091982389539e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.988937000560000e+03 1.315999952566926e-05 2.817987050464510e-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_cmake: [foss2023a-mpi, foss-full-mpi] 3.988936996250000e+03 8.849999630911043e-06 1.895074867432772e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 3.988937003450000e+03 1.604999943083385e-05 3.436830713240653e-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_omp_autotools: [intel2022a-mpi] 3.988937003680000e+03 1.627999972697580e-05 3.486081311986253e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 3.988937000870000e+03 1.346999943052651e-05 2.884368186408247e-01 PASS