Match comparison for Hartree-Fock kinetic energy (match type 15655)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
3.168838500000000e-01 | 1.000000000000000e-04 | 3.168835000000001e-01 | 1.110223024625157e-16 | 3.168835000000000e-01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: 0.31688385, precision: 0.0001Run | Value | Difference | Relative difference | Status |
cuda-mpi-omp: [foss2022a-cuda-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-serial-min: [foss2022a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-serial-min: [foss2023b-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-serial-min: [foss2023a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-opt-full: [foss2023a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-serial-full: [foss2023b-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-serial-full: [foss2023a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
intel_autotools: [intel2023a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-ppc: [foss2022a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-serial-debug: [foss2023a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-mpi-opt-full: [foss2023a-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
intel_omp_autotools: [intel2023a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-omp-full: [foss2023a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
intel_omp_autotools: [intel2022a-serial] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-mpi-full: [foss2023a-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-mpi-debug: [foss2023a-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-mpi-min: [foss2022a-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-mpi-min: [foss2023a-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
foss-mpi-omp-full: [foss2023a-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |
intel_mpi_omp_autotools: [intel2022a-mpi] | 3.168835000000000e-01 | -3.500000000378201e-07 | -3.500000000378201e-03 | PASS |