Match comparison for B3LYP Fock Int[n*v_xc] (match type 12228)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.479046950000000e-01 | 4.190000000000000e-06 | -3.479084892857144e-01 | 9.974457168870559e-09 | -3.479084900000000e-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: -0.347904695, precision: 0.00000419| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| intel-serial: [intel2023a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| intel-omp: [intel2023a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| intel-omp: [intel2022a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.479085000000000e-01 | -3.805000000023373e-06 | -9.081145584781321e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.479084800000000e-01 | -3.785000000033900e-06 | -9.033412887909070e-01 | PASS |