Match comparison for Hartree energy (match type 25640)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.242796943000000e+02 | 1.330000000000000e-06 | -5.242796936923530e+02 | 5.452741259237287e-07 | -5.242796944250000e+02 | 1.085000008060888e-06 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -524.2796943, precision: 0.00000133| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -5.242796933400000e+02 | 9.599999657439184e-07 | 7.218044855217433e-01 | PASS |
| spack_foss-2022a_serial_min | -5.242796933400000e+02 | 9.599999657439184e-07 | 7.218044855217433e-01 | PASS |
| spack_foss-2022a_serial | -5.242796933400000e+02 | 9.599999657439184e-07 | 7.218044855217433e-01 | PASS |
| spack_foss-2022a_serial_opt | -5.242796933400000e+02 | 9.599999657439184e-07 | 7.218044855217433e-01 | PASS |
| spack_foss-2022a_ppc | -5.242796940400000e+02 | 2.599999788799323e-07 | 1.954887059247611e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.242796933900000e+02 | 9.099999260797631e-07 | 6.842104707366640e-01 | PASS |
| spack_foss-2023a_mpi_min | -5.242796933900000e+02 | 9.099999260797631e-07 | 6.842104707366640e-01 | PASS |
| spack_foss-2022a_serial_debug | -5.242796933400000e+02 | 9.599999657439184e-07 | 7.218044855217433e-01 | PASS |
| spack_foss-2022a_mpi_opt | -5.242796933900000e+02 | 9.099999260797631e-07 | 6.842104707366640e-01 | PASS |
| spack_intel-2022a_serial_omp | -5.242796939400000e+02 | 3.599999445214053e-07 | 2.706766500160942e-01 | PASS |
| spack_foss-2022a_mpi | -5.242796933900000e+02 | 9.099999260797631e-07 | 6.842104707366640e-01 | PASS |
| spack_foss-2022a_cuda_serial | -5.242796955100000e+02 | -1.210000050377857e-06 | -9.097744739683139e-01 | PASS |
| spack_intel-2023a_impi | -5.242796934600000e+02 | 8.399999842367833e-07 | 6.315789355163784e-01 | PASS |
| spack_foss-2022a_mpi_debug | -5.242796933900000e+02 | 9.099999260797631e-07 | 6.842104707366640e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.242796942100000e+02 | 8.999995770864189e-08 | 6.766914113431721e-02 | PASS |
| spack_intel-2022a_impi_omp | -5.242796939400000e+02 | 3.599999445214053e-07 | 2.706766500160942e-01 | PASS |
| spack_foss-2022a_valgrind | -5.242796940200000e+02 | 2.799999947455944e-07 | 2.105263118387928e-01 | PASS |