Match comparison for Hartree energy (match type 30494)

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936996503846e+03 1.052975858169808e-05 3.988936986720000e+03 1.717000009193725e-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, ci-foss-full] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] 3.988936969550000e+03 -1.785000040399609e-05 -3.822269893789313e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] 3.988937003460000e+03 1.605999977982719e-05 3.438972115594688e-01 PASS
foss-opt-full: [foss2023a-serial] 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-serial-full: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] 3.988936986290000e+03 -1.110000539483735e-06 -2.376874816881661e-02 PASS
foss-ppc: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 3.460385360124589e-01 PASS
foss-serial-min: [foss2023a-serial] 3.988937003830000e+03 1.642999950490776e-05 3.518201178781104e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 1.950749381111558e-01 PASS
foss-serial-min: [foss2023b-serial] 3.988937001520000e+03 1.411999983247370e-05 3.023554567981520e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-omp-full: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.988937002780000e+03 1.537999969514203e-05 3.293361819088230e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003590000e+03 1.618999976926716e-05 3.466809372434081e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.988936990260000e+03 2.859999767679255e-06 6.124196504666500e-02 PASS
foss-mpi-min: [foss2023a-mpi] 3.988937000230000e+03 1.282999983232003e-05 2.747323304565317e-01 PASS
intel-serial: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 3.192719413995607e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.988937002880000e+03 1.547999954709667e-05 3.314775063618131e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 3.988937003890000e+03 1.648999977987842e-05 3.531049203400090e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937002850000e+03 1.544999986435869e-05 3.308351148684944e-01 PASS
foss-serial-min: [foss2022a-serial] 3.988937003830000e+03 1.642999950490776e-05 3.518201178781104e-01 PASS
foss-mpi-min: [foss2022a-mpi] 3.988937000230000e+03 1.282999983232003e-05 2.747323304565317e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003390000e+03 1.598999961061054e-05 3.423982785997974e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS