Match comparison for M-solvent int. energy @ t=21*dt (match type 12047)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 32-tdpcm_methane.03-td_prop_eom.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-1.502587164251000e-02 | 1.000000000000000e-04 | -1.508533060257073e-02 | 5.025529813821988e-14 | -1.508533060254700e-02 | 1.087593556881039e-13 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.01502587164251, precision: 0.0001Run | Value | Difference | Relative difference | Status |
cmake_foss_2022a_full_serial | -1.508533060265576e-02 | -5.945896014576332e-05 | -5.945896014576332e-01 | PASS |
spack_foss-2022a_ppc | -1.508533060258326e-02 | -5.945896007325709e-05 | -5.945896007325708e-01 | PASS |
cmake_foss_2022a_min_serial | -1.508533060265576e-02 | -5.945896014576332e-05 | -5.945896014576332e-01 | PASS |
cmake_foss_2022a_min_mpi | -1.508533060260742e-02 | -5.945896009742525e-05 | -5.945896009742525e-01 | PASS |
cmake_foss_2022a_full_mpi | -1.508533060248658e-02 | -5.945895997658268e-05 | -5.945895997658268e-01 | PASS |
spack_foss-2022a_mpi_min | -1.508533060255909e-02 | -5.945896004908892e-05 | -5.945896004908892e-01 | PASS |
spack_foss-2022a_mpi | -1.508533060255909e-02 | -5.945896004908892e-05 | -5.945896004908892e-01 | PASS |
spack_foss-2022a_serial | -1.508533060258326e-02 | -5.945896007325709e-05 | -5.945896007325708e-01 | PASS |
spack_foss-2022a_serial_min | -1.508533060258326e-02 | -5.945896007325709e-05 | -5.945896007325708e-01 | PASS |
spack_foss-2023a_mpi | -1.508533060255909e-02 | -5.945896004908892e-05 | -5.945896004908892e-01 | PASS |
spack_foss-2023a_mpi_min | -1.508533060255909e-02 | -5.945896004908892e-05 | -5.945896004908892e-01 | PASS |
spack_foss-2023a_serial_min | -1.508533060258326e-02 | -5.945896007325709e-05 | -5.945896007325708e-01 | PASS |
spack_foss-2023a_serial | -1.508533060258326e-02 | -5.945896007325709e-05 | -5.945896007325708e-01 | PASS |
spack_foss-2023a_mpi_opt | -1.508533060248658e-02 | -5.945895997658268e-05 | -5.945895997658268e-01 | PASS |
spack_foss-2023a_mpi_debug | -1.508533060255909e-02 | -5.945896004908892e-05 | -5.945896004908892e-01 | PASS |
spack_foss-2023a_serial_opt | -1.508533060265576e-02 | -5.945896014576332e-05 | -5.945896014576332e-01 | PASS |
spack_foss-2023b_serial | -1.508533060258326e-02 | -5.945896007325709e-05 | -5.945896007325708e-01 | PASS |
spack_foss-2023a_serial_debug | -1.508533060258326e-02 | -5.945896007325709e-05 | -5.945896007325708e-01 | PASS |
spack_foss-2023a_serial_omp | -1.508533060263159e-02 | -5.945896012159342e-05 | -5.945896012159342e-01 | PASS |
spack_intel-2022a_serial_omp | -1.508533060255909e-02 | -5.945896004908892e-05 | -5.945896004908892e-01 | PASS |
spack_foss-2023a_mpi_omp | -1.508533060255909e-02 | -5.945896004908892e-05 | -5.945896004908892e-01 | PASS |
spack_intel-2023a_serial | -1.508533060253492e-02 | -5.945896002491902e-05 | -5.945896002491902e-01 | PASS |
spack_intel-2023a_impi | -1.508533060243824e-02 | -5.945895992824461e-05 | -5.945895992824460e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | -1.508533060253492e-02 | -5.945896002491902e-05 | -5.945896002491902e-01 | PASS |
spack_intel-2023a_serial_omp | -1.508533060255909e-02 | -5.945896004908892e-05 | -5.945896004908892e-01 | PASS |
spack_intel-2022a_impi_omp | -1.508533060253492e-02 | -5.945896002491902e-05 | -5.945896002491902e-01 | PASS |
spack_foss-2022a_cuda_serial | -1.508533060263159e-02 | -5.945896012159342e-05 | -5.945896012159342e-01 | PASS |