Match comparison for gga_x_pbek1_vdw Int[n*v_xc] (match type 12369)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.061309150000000e-01 | 4.900000000000000e-06 | -4.061353556250000e-01 | 1.170937124083370e-08 | -4.061353650000000e-01 | 1.499999999210466e-08 | PASS |
Checks for this match
- MPI builders have different values.
- OpenMP builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.406130915, precision: 0.0000049| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |