Match comparison for Hartree energy (match type 28980)

Commits > Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 > Input 07-sic.02-scdm.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.818233363000000e+01 1.250000000000000e-05 1.818234212000000e+01 7.487476210630907e-06 1.818233363000000e+01 1.132000000048095e-05 PASS

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Detailed information

Reference: 18.18233363, precision: 0.0000125
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_serial_min 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_serial 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_serial_opt 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_ppc 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_mpi_min 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2023a_mpi_min 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_serial_debug 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_mpi_opt 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_intel-2022a_serial_omp 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_mpi 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_cuda_serial 1.818232231000000e+01 -1.131999999870459e-05 -9.055999998963671e-01 PASS
spack_intel-2023a_impi 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_mpi_debug 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS
spack_foss-2022a_cuda_mpi_omp 1.818232231000000e+01 -1.131999999870459e-05 -9.055999998963671e-01 PASS
spack_intel-2022a_impi_omp 1.818234495000000e+01 1.132000000225730e-05 9.056000001805842e-01 PASS