Match comparison for PBE0 Fock Total (match type 12507)

Commits > Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 > Input 03-xc.pbe0_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.803856600000000e-01 1.640000000000000e-05 -5.803987421875000e-01 7.234006814336657e-06 -5.803856650000000e-01 1.494499999998844e-05 PASS

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Detailed information

Reference: -0.58038566, precision: 0.0000164
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-serial-min: [foss2023a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-serial-min: [foss2022a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-serial-full: [foss2023b-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-serial-full: [foss2023a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-serial-min: [foss2023b-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-opt-full: [foss2023a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
intel-serial: [intel2023a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-serial-debug: [foss2023a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-ppc: [foss2022a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
intel_omp_autotools: [intel2022a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
intel_omp_autotools: [intel2023a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-omp-full: [foss2023a-serial] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-mpi-full: [foss2023a-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-mpi-min: [foss2023a-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-mpi-min: [foss2022a-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -5.804006100000000e-01 -1.494999999995805e-05 -9.115853658511008e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -5.803707200000000e-01 1.494000000001883e-05 9.109756097572457e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -5.803707299999999e-01 1.493000000007960e-05 9.103658536633904e-01 PASS