Match comparison for Hartree energy (match type 26101)

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Input 18-TiO2.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.244572722000000e+01 2.880000000000000e-06 4.244572609740740e+01 4.543256504281790e-07 4.244572633000000e+01 7.599999989338357e-07 PASS

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Detailed information

Reference: 42.44572722, precision: 0.00000288
Run Value Difference Relative difference Status
spack_foss-2022a_ppc 4.244572598000000e+01 -1.240000003122077e-06 -4.305555566396101e-01 PASS
cmake_foss_2022a_full_serial 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
cmake_foss_2022a_min_serial 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
cmake_foss_2022a_min_mpi 4.244572594000000e+01 -1.279999999326265e-06 -4.444444442105085e-01 PASS
cmake_foss_2022a_full_mpi 4.244572642000000e+01 -8.000000022434506e-07 -2.777777785567537e-01 PASS
spack_intel-2022a_serial_omp 4.244572586000000e+01 -1.359999998840067e-06 -4.722222218194677e-01 PASS
spack_foss-2022a_cuda_serial 4.244572652000000e+01 -7.000000010748408e-07 -2.430555559287642e-01 PASS
spack_foss-2022a_cuda_mpi_omp 4.244572643000000e+01 -7.900000014160469e-07 -2.743055560472385e-01 PASS
spack_foss-2022a_mpi_min 4.244572642000000e+01 -8.000000022434506e-07 -2.777777785567537e-01 PASS
spack_foss-2022a_serial 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
spack_foss-2022a_mpi 4.244572642000000e+01 -8.000000022434506e-07 -2.777777785567537e-01 PASS
spack_foss-2022a_serial_min 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
spack_foss-2023a_mpi 4.244572642000000e+01 -8.000000022434506e-07 -2.777777785567537e-01 PASS
spack_foss-2023a_mpi_min 4.244572642000000e+01 -8.000000022434506e-07 -2.777777785567537e-01 PASS
spack_foss-2023a_serial 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
spack_foss-2023a_serial_min 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
spack_foss-2023a_serial_opt 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
spack_foss-2023a_mpi_opt 4.244572642000000e+01 -8.000000022434506e-07 -2.777777785567537e-01 PASS
spack_foss-2023a_serial_debug 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
spack_foss-2023a_serial_omp 4.244572610000000e+01 -1.120000000298660e-06 -3.888888889925902e-01 PASS
spack_foss-2023a_mpi_debug 4.244572642000000e+01 -8.000000022434506e-07 -2.777777785567537e-01 PASS
spack_foss-2023b_serial 4.244572557000000e+01 -1.650000001518492e-06 -5.729166671939210e-01 PASS
spack_foss-2023a_mpi_omp 4.244572664000000e+01 -5.800000053568510e-07 -2.013888907489066e-01 PASS
spack_intel-2023a_serial 4.244572709000000e+01 -1.300000036508209e-07 -4.513889015653503e-02 PASS
spack_intel-2023a_serial_omp 4.244572645000000e+01 -7.699999997612395e-07 -2.673611110282081e-01 PASS
spack_intel-2023a_impi 4.244572578000000e+01 -1.440000005459297e-06 -5.000000018955891e-01 PASS
spack_intel-2022a_impi_omp 4.244572677000000e+01 -4.500000017060302e-07 -1.562500005923716e-01 PASS