Match comparison for Hartree energy (match type 30346)
General information
| Reference |
Precision |
Mean |
Standard deviation |
Midpoint |
Half width |
Status |
| 1.818364180000000e+01 |
1.640000000000000e-05 |
1.818365260739130e+01 |
2.363722593485655e-06 |
1.818365189500000e+01 |
4.784999999785100e-06 |
PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Detailed information
Reference: 18.1836418, precision: 0.0000164
| Run |
Value |
Difference |
Relative difference |
Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] |
1.818365506000000e+01 |
1.325999999934879e-05 |
8.085365853261459e-01 |
PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] |
1.818365506000000e+01 |
1.325999999934879e-05 |
8.085365853261459e-01 |
PASS |
| intel_omp_autotools: [intel2023a-serial] |
1.818364711000000e+01 |
5.309999998814874e-06 |
3.237804877326143e-01 |
PASS |
| intel_autotools: [intel2023a-serial] |
1.818365668000000e+01 |
1.487999999838507e-05 |
9.073170730722606e-01 |
PASS |
| intel_omp_autotools: [intel2022a-serial] |
1.818364711000000e+01 |
5.309999998814874e-06 |
3.237804877326143e-01 |
PASS |
| foss-serial-full: [foss2023b-serial] |
1.818365330000000e+01 |
1.149999999938700e-05 |
7.012195121577440e-01 |
PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] |
1.818365428000000e+01 |
1.247999999876015e-05 |
7.609756096804969e-01 |
PASS |
| foss-mpi-min: [foss2022a-mpi] |
1.818365406000000e+01 |
1.225999999832084e-05 |
7.475609755073681e-01 |
PASS |
| foss-serial-full: [foss2023a-serial] |
1.818365330000000e+01 |
1.149999999938700e-05 |
7.012195121577440e-01 |
PASS |
| foss-serial-min: [foss2023a-serial] |
1.818365330000000e+01 |
1.149999999938700e-05 |
7.012195121577440e-01 |
PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] |
1.818365114000000e+01 |
9.339999998303483e-06 |
5.695121950185051e-01 |
PASS |
| foss-mpi-omp-full: [foss2023a-mpi] |
1.818364903000000e+01 |
7.230000001356984e-06 |
4.408536586193283e-01 |
PASS |
| foss-mpi-min: [foss2023a-mpi] |
1.818365406000000e+01 |
1.225999999832084e-05 |
7.475609755073681e-01 |
PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] |
1.818365114000000e+01 |
9.339999998303483e-06 |
5.695121950185051e-01 |
PASS |
| foss-serial-min: [foss2022a-serial] |
1.818365330000000e+01 |
1.149999999938700e-05 |
7.012195121577440e-01 |
PASS |
| foss_cmake: [foss2022a-serial, foss-full] |
1.818365349000000e+01 |
1.169000000089682e-05 |
7.128048781034645e-01 |
PASS |
| foss_cmake: [foss2022a-serial, foss-min] |
1.818365349000000e+01 |
1.169000000089682e-05 |
7.128048781034645e-01 |
PASS |
| foss-mpi-full: [foss2023a-mpi] |
1.818365406000000e+01 |
1.225999999832084e-05 |
7.475609755073681e-01 |
PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] |
1.818365114000000e+01 |
9.339999998303483e-06 |
5.695121950185051e-01 |
PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] |
1.818365114000000e+01 |
9.339999998303483e-06 |
5.695121950185051e-01 |
PASS |
| foss-mpi-opt-full: [foss2023a-mpi] |
1.818365114000000e+01 |
9.339999998303483e-06 |
5.695121950185051e-01 |
PASS |
| foss-serial-min: [foss2023b-serial] |
1.818365330000000e+01 |
1.149999999938700e-05 |
7.012195121577440e-01 |
PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] |
1.818365428000000e+01 |
1.247999999876015e-05 |
7.609756096804969e-01 |
PASS |