Match comparison for gga_x_optpbe_vdw Exchange (match type 12340)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.146356050000000e-01 | 3.900000000000000e-06 | -3.146391379999999e-01 | 9.797958965975498e-09 | -3.146391400000000e-01 | 9.999999994736442e-09 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.314635605, precision: 0.0000039| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2023a_serial_min | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2022a_serial | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2023a_serial | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2023b_serial | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2022a_ppc | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.146391300000000e-01 | -3.525000000004219e-06 | -9.038461538472357e-01 | PASS |
| spack_foss-2022a_mpi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| spack_foss-2023a_mpi | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.146391500000000e-01 | -3.544999999993692e-06 | -9.089743589727416e-01 | PASS |