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

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Input 03-xc.pbe0_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.236457000000000e-01 3.840000000000000e-06 -3.236486674074073e-01 1.827851587684920e-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
cmake_foss_2022a_min_serial -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
cmake_foss_2022a_full_serial -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_foss-2022a_serial_min -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
cmake_foss_2022a_min_mpi -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2022a_ppc -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_foss-2022a_serial -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
cmake_foss_2022a_full_mpi -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2022a_mpi_min -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2022a_mpi -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2023a_mpi -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2023a_mpi_min -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2023a_serial -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_foss-2023a_mpi_opt -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2023a_mpi_debug -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2023a_serial_debug -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_foss-2023a_serial_min -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_foss-2022a_cuda_serial -3.236422000000000e-01 3.499999999989623e-06 9.114583333306310e-01 PASS
spack_foss-2023a_mpi_omp -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_foss-2023a_serial_opt -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_foss-2023a_serial_omp -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_foss-2023b_serial -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.236422100000000e-01 3.489999999994886e-06 9.088541666653350e-01 PASS
spack_intel-2023a_serial -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_intel-2022a_serial_omp -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_intel-2023a_serial_omp -3.236491800000000e-01 -3.480000000000150e-06 -9.062500000000391e-01 PASS
spack_intel-2023a_impi -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS
spack_intel-2022a_impi_omp -3.236491900000000e-01 -3.489999999994886e-06 -9.088541666653350e-01 PASS