Match comparison for Hartree energy (match type 30494)

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936993755883e+03 1.151323510796551e-05 3.988936987275000e+03 1.707499995973194e-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] 3.988937003890000e+03 1.648999977987842e-05 3.531049203400090e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937000650000e+03 1.324999948337791e-05 2.837258990016682e-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-serial-min: [foss2022a-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_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
foss_autotools: [foss2022a-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_autotools: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 3.192719413995607e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988937004350000e+03 1.694999946266762e-05 3.629550206138677e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 3.460385360124589e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 1.950749381111558e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937002610000e+03 1.520999967397074e-05 3.256959244961615e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937003680000e+03 1.627999972697580e-05 3.486081311986253e-01 PASS
foss-omp-full: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988936995870000e+03 8.469999556837138e-06 1.813704401892321e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988936991300000e+03 3.899999683198985e-06 8.351177051817955e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.988937003670000e+03 1.626999983272981e-05 3.483940007008525e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.988937003670000e+03 1.626999983272981e-05 3.483940007008525e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003660000e+03 1.625999948373646e-05 3.481798604654490e-01 PASS
foss-mpi-min: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss-mpi-min: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988936970200000e+03 -1.720000045679626e-05 -3.683083609592347e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988936991150000e+03 3.749999450519681e-06 8.029977410106384e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003680000e+03 1.627999972697580e-05 3.486081311986253e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988936997170000e+03 9.769999451236799e-06 2.092076970286253e-01 PASS