Match comparison for Dipole Moment x (match type 11782)

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Input 17-scfinlcao_alt.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
0.000000000000000e+00 1.000000000000000e-10 6.662251250000000e-15 3.991651971775751e-14 3.790695000000000e-14 1.247700500000000e-13 PASS
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Detailed information

Reference: 0.0, precision: 0.0000000001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.620260000000000e-15 -2.620260000000000e-15 -2.620260000000000e-05 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.198860000000000e-14 -1.198860000000000e-14 -1.198860000000000e-04 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -8.686310000000001e-14 -8.686310000000001e-14 -8.686310000000000e-04 PASS
foss-ppc: [foss2022a-serial] -6.414060000000000e-15 -6.414060000000000e-15 -6.414059999999999e-05 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 1.693140000000000e-14 1.693140000000000e-14 1.693140000000000e-04 PASS
foss-serial-min: [foss2022a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
foss-serial-min: [foss2023a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
foss-serial-full: [foss2023a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
foss-serial-full: [foss2023b-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
intel_omp_autotools: [intel2022a-serial] -1.243650000000000e-14 -1.243650000000000e-14 -1.243650000000000e-04 PASS
foss-serial-min: [foss2023b-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
intel_omp_autotools: [intel2023a-serial] -7.717280000000000e-15 -7.717280000000000e-15 -7.717280000000000e-05 PASS
foss-opt-full: [foss2023a-serial] 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
foss-serial-debug: [foss2023a-serial] 5.527490000000000e-15 5.527490000000000e-15 5.527490000000000e-05 PASS
foss_cmake: [foss2022a-serial, foss-min] 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
intel-serial: [intel2023a-serial] -4.584750000000000e-15 -4.584750000000000e-15 -4.584750000000000e-05 PASS
foss_cmake: [foss2022a-serial, foss-full] 2.425190000000000e-15 2.425190000000000e-15 2.425190000000000e-05 PASS
foss-omp-full: [foss2023a-serial] 4.293950000000000e-15 4.293950000000000e-15 4.293950000000000e-05 PASS
intel_mpi_autotools: [intel2023a-mpi] 1.762040000000000e-14 1.762040000000000e-14 1.762040000000000e-04 PASS
foss-mpi-full: [foss2023a-mpi] -6.265020000000001e-14 -6.265020000000001e-14 -6.265020000000000e-04 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.970430000000000e-14 3.970430000000000e-14 3.970430000000000e-04 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.970430000000000e-14 3.970430000000000e-14 3.970430000000000e-04 PASS
foss-mpi-debug: [foss2023a-mpi] -6.265020000000001e-14 -6.265020000000001e-14 -6.265020000000000e-04 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.970430000000000e-14 3.970430000000000e-14 3.970430000000000e-04 PASS
foss-mpi-min: [foss2022a-mpi] 3.612040000000000e-14 3.612040000000000e-14 3.612040000000000e-04 PASS
foss-mpi-min: [foss2023a-mpi] 3.612040000000000e-14 3.612040000000000e-14 3.612040000000000e-04 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 2.934780000000000e-14 2.934780000000000e-14 2.934780000000000e-04 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 2.934780000000000e-14 2.934780000000000e-14 2.934780000000000e-04 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.418890000000000e-14 -1.418890000000000e-14 -1.418890000000000e-04 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.579400000000000e-16 -2.579400000000000e-16 -2.579400000000000e-06 PASS
cuda-serial: [foss2022a-cuda-mpi] -6.448730000000000e-15 -6.448730000000000e-15 -6.448730000000000e-05 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 1.626770000000000e-13 1.626770000000000e-13 1.626770000000000e-03 PASS