Match comparison for gga_xc_pbe1w Correlation (match type 12420)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-3.376165050000000e-01 | 4.160000000000000e-06 | -3.376202737500000e-01 | 7.806247493889134e-09 | -3.376202800000000e-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: -0.33761650499999996, precision: 0.00000416Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
intel_autotools: [intel2023a-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
intel_omp_autotools: [intel2022a-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss-serial-full: [foss2023b-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.376202900000000e-01 | -3.785000000033900e-06 | -9.098557692389183e-01 | PASS |
foss-serial-full: [foss2023a-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss-serial-min: [foss2023a-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.376202900000000e-01 | -3.785000000033900e-06 | -9.098557692389183e-01 | PASS |
foss-omp-full: [foss2023a-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss-serial-min: [foss2022a-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss_cmake: [foss2022a-serial, foss-full] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss_cmake: [foss2022a-serial, foss-min] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss-serial-min: [foss2023b-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.376202900000000e-01 | -3.785000000033900e-06 | -9.098557692389183e-01 | PASS |
foss-opt-full: [foss2023a-serial] | -3.376202700000000e-01 | -3.765000000044427e-06 | -9.050480769337566e-01 | PASS |