Match comparison for Kinetic energy (match type 22514)

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Input 07-mgga.04-br89_gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.507938600000000e+01 3.600000000000000e-07 3.507938582461539e+01 8.727634156014769e-08 3.507938602500001e+01 2.349999981277051e-07 PASS

Checks for this match

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  • Intel® builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 35.079386, precision: 0.00000036
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2022a_serial_min 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_serial_min 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_serial 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2022a_serial 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2022a_ppc 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
cmake_foss_2022a_min_serial 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
cmake_foss_2022a_min_mpi 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_mpi_min 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2022a_mpi_min 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
cmake_foss_2022a_full_mpi 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_serial_debug 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_mpi_opt 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2022a_mpi 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_mpi 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2022a_cuda_serial 3.507938626000000e+01 2.600000001962144e-07 7.222222227672622e-01 PASS
spack_foss-2023a_mpi_debug 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_mpi_omp 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_serial_opt 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023b_serial 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_foss-2023a_serial_omp 3.507938581000000e+01 -1.900000015098158e-07 -5.277777819717105e-01 PASS
spack_intel-2023a_serial 3.507938579000000e+01 -2.099999960591958e-07 -5.833333223866551e-01 PASS
spack_intel-2022a_serial_omp 3.507938580000000e+01 -2.000000023372195e-07 -5.555555620478320e-01 PASS
spack_intel-2023a_serial_omp 3.507938580000000e+01 -2.000000023372195e-07 -5.555555620478320e-01 PASS
spack_intel-2023a_impi 3.507938579000000e+01 -2.099999960591958e-07 -5.833333223866551e-01 PASS
spack_intel-2022a_impi_omp 3.507938580000000e+01 -2.000000023372195e-07 -5.555555620478320e-01 PASS