Match comparison for External energy (match type 21424)

Commits > Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 > Input 24-hartree_fock_1D.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.602756027000000e+02 2.300000000000000e-06 -4.602756026999999e+02 1.136868377216160e-13 -4.602756027000000e+02 0.000000000000000e+00 PASS
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Detailed information

Reference: -460.27560270000004, precision: 0.0000023
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-serial-min: [foss2022a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-serial-min: [foss2023a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
intel_autotools: [intel2023a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-opt-full: [foss2023a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-serial-min: [foss2023b-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-serial-full: [foss2023a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-serial-full: [foss2023b-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-ppc: [foss2022a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
intel_omp_autotools: [intel2022a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
intel_omp_autotools: [intel2023a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-serial-debug: [foss2023a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-omp-full: [foss2023a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-mpi-full: [foss2023a-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-mpi-debug: [foss2023a-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-mpi-min: [foss2023a-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-mpi-min: [foss2022a-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss_cmake: [foss2022a-serial, foss-min] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
foss-mpi-omp-full: [foss2023a-mpi] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS
valgrind: [foss2023a-serial] -4.602756027000000e+02 5.684341886080801e-14 2.471452993948174e-08 PASS