Match comparison for van der Waals energy (match type 28316)
Commits >
Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 >
Input 12-vdw_solid_c6.02-gs_graphene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.361250000000000e-03 | 1.680000000000000e-07 | -3.361240000000001e-03 | 4.336808689942018e-19 | -3.361240000000000e-03 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.00336125, precision: 0.000000168| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_serial_min | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2022a_ppc | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_serial | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2022a_serial | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023b_serial | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_mpi | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_intel-2023a_serial | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_foss-2022a_mpi | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |
| spack_intel-2023a_impi | -3.361240000000000e-03 | 9.999999999940612e-09 | 5.952380952345603e-02 | PASS |