Match comparison for PBE0 Fock Int[n*v_xc] (match type 12506)

Commits > Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f > Input 03-xc.pbe0_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.236457000000000e-01 3.840000000000000e-06 -3.236487484375000e-01 1.689515665386238e-06 -3.236456950000000e-01 3.494999999992254e-06 PASS

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Detailed information

Reference: -0.3236457, precision: 0.00000384
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss-serial-min: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-serial-min: [foss2022a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-serial-min: [foss2023b-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
intel-serial: [intel2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-opt-full: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-serial-full: [foss2023b-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-serial-full: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-ppc: [foss2022a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-serial-debug: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss-omp-full: [foss2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.236422000000000e-01 3.499999999989623e-06 9.114583333306310e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.236422100000000e-01 3.489999999994886e-06 9.088541666653350e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS