Match comparison for Hartree energy (match type 30494)

Commits > Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936994750882e+03 1.099668727291821e-05 3.988936987875000e+03 1.602499992259254e-05 PASS
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Detailed information

Reference: 3988.9369874000004, precision: 0.0000467
Run Value Difference Relative difference Status
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937002540000e+03 1.513999950475409e-05 3.241969915364901e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937000650000e+03 1.324999948337791e-05 2.837258990016682e-01 PASS
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_autotools: [foss2023a-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_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.988936994180000e+03 6.779999694117578e-06 1.451820062980209e-01 PASS
foss_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937003900000e+03 1.649999967412441e-05 3.533190508377818e-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_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
foss-serial-min: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988937003060000e+03 1.565999946251395e-05 3.353318942722474e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988937003220000e+03 1.581999958943925e-05 3.387580211871360e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003470000e+03 1.606999967407319e-05 3.441113420572418e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988937003390000e+03 1.598999961061054e-05 3.423982785997974e-01 PASS
foss-serial-min: [foss2023a-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_mpi_omp_autotools: [foss2023a-mpi] 3.988937002190000e+03 1.478999956816551e-05 3.167023462133943e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss-opt-full: [foss2023a-serial] 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-omp-full: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988937003420000e+03 1.601999974809587e-05 3.430406798307467e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988936984400000e+03 -3.000000560859917e-06 -6.423984070363847e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988936997620000e+03 1.021999969452736e-05 2.188436765423418e-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