Match comparison for Hartree energy (match type 28492)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
1.213210874000000e+01 | 6.069999999999999e-08 | 1.213210879000000e+01 | 0.000000000000000e+00 | 1.213210879000000e+01 | 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: 12.13210874, precision: 0.0000000607Run | Value | Difference | Relative difference | Status |
foss-ppc: [foss2022a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-serial-full: [foss2023a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
intel_omp_autotools: [intel2022a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
intel_omp_autotools: [intel2023a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-serial-debug: [foss2023a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-serial-full: [foss2023b-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-opt-full: [foss2023a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
intel-serial: [intel2023a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-omp-full: [foss2023a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-mpi-opt-full: [foss2023a-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-mpi-full: [foss2023a-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-mpi-debug: [foss2023a-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-mpi-omp-full: [foss2023a-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
intel_mpi_omp_autotools: [intel2022a-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-serial-min: [foss2023a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-serial-min: [foss2023b-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-serial-min: [foss2022a-serial] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-mpi-min: [foss2023a-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
foss-mpi-min: [foss2022a-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
cuda-serial: [foss2022a-cuda-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |
cuda-mpi-omp: [foss2022a-cuda-mpi] | 1.213210879000000e+01 | 5.000000058430487e-08 | 8.237232386211677e-01 | PASS |