Match comparison for Total energy (match type 364)
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Input 02-neon_mpi.03-td_calc-kli_par_states.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -6.103815000000000e+01 | 1.400000000000000e-04 | -6.103801309941177e+01 | 1.258878607632703e-08 | -6.103801310000000e+01 | 2.000000165480742e-08 | 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: -61.03815, precision: 0.00014| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -6.103801311000000e+01 | 1.368900000002782e-04 | 9.777857142877013e-01 | PASS |
| spack_foss-2023a_serial_min | -6.103801311000000e+01 | 1.368900000002782e-04 | 9.777857142877013e-01 | PASS |
| spack_foss-2022a_serial_opt | -6.103801311000000e+01 | 1.368900000002782e-04 | 9.777857142877013e-01 | PASS |
| spack_foss-2022a_serial | -6.103801311000000e+01 | 1.368900000002782e-04 | 9.777857142877013e-01 | PASS |
| spack_foss-2022a_ppc | -6.103801310000000e+01 | 1.369000000011056e-04 | 9.778571428650400e-01 | PASS |
| spack_foss-2022a_mpi_min | -6.103801309000000e+01 | 1.369100000019330e-04 | 9.779285714423785e-01 | PASS |
| spack_foss-2023a_mpi_min | -6.103801309000000e+01 | 1.369100000019330e-04 | 9.779285714423785e-01 | PASS |
| spack_foss-2022a_mpi_opt | -6.103801309000000e+01 | 1.369100000019330e-04 | 9.779285714423785e-01 | PASS |
| spack_foss-2022a_serial_debug | -6.103801311000000e+01 | 1.368900000002782e-04 | 9.777857142877013e-01 | PASS |
| spack_intel-2022a_serial_omp | -6.103801312000000e+01 | 1.368799999994508e-04 | 9.777142857103628e-01 | PASS |
| spack_foss-2022a_mpi | -6.103801309000000e+01 | 1.369100000019330e-04 | 9.779285714423785e-01 | PASS |
| spack_intel-2023a_impi | -6.103801308000000e+01 | 1.369200000027604e-04 | 9.780000000197171e-01 | PASS |
| spack_foss-2022a_mpi_debug | -6.103801309000000e+01 | 1.369100000019330e-04 | 9.779285714423785e-01 | PASS |
| spack_foss-2022a_cuda_serial | -6.103801312000000e+01 | 1.368799999994508e-04 | 9.777142857103628e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -6.103801309000000e+01 | 1.369100000019330e-04 | 9.779285714423785e-01 | PASS |
| spack_intel-2022a_impi_omp | -6.103801308000000e+01 | 1.369200000027604e-04 | 9.780000000197171e-01 | PASS |
| spack_foss-2022a_valgrind | -6.103801310000000e+01 | 1.369000000011056e-04 | 9.778571428650400e-01 | PASS |