Match comparison for Free energy (match type 25117)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -6.995121928400000e+02 | 1.590000000000000e-06 | -6.995121934729412e+02 | 7.415862545087314e-07 | -6.995121927000000e+02 | 1.310000016019330e-06 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -699.51219284, precision: 0.00000159| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -6.995121940100000e+02 | -1.170000018646533e-06 | -7.358490683311529e-01 | PASS |
| spack_foss-2022a_serial_min | -6.995121940100000e+02 | -1.170000018646533e-06 | -7.358490683311529e-01 | PASS |
| spack_foss-2022a_serial | -6.995121940100000e+02 | -1.170000018646533e-06 | -7.358490683311529e-01 | PASS |
| spack_foss-2022a_serial_opt | -6.995121940100000e+02 | -1.170000018646533e-06 | -7.358490683311529e-01 | PASS |
| spack_foss-2022a_ppc | -6.995121927200000e+02 | 1.199999815071351e-07 | 7.547168648247490e-02 | PASS |
| spack_foss-2022a_mpi_min | -6.995121939600000e+02 | -1.119999978982378e-06 | -7.044025025046401e-01 | PASS |
| spack_foss-2023a_mpi_min | -6.995121939600000e+02 | -1.119999978982378e-06 | -7.044025025046401e-01 | PASS |
| spack_foss-2022a_serial_debug | -6.995121940100000e+02 | -1.170000018646533e-06 | -7.358490683311529e-01 | PASS |
| spack_foss-2022a_mpi_opt | -6.995121939600000e+02 | -1.119999978982378e-06 | -7.044025025046401e-01 | PASS |
| spack_intel-2022a_serial_omp | -6.995121929400000e+02 | -9.999996564147295e-08 | -6.289306015186978e-02 | PASS |
| spack_foss-2022a_mpi | -6.995121939600000e+02 | -1.119999978982378e-06 | -7.044025025046401e-01 | PASS |
| spack_foss-2022a_cuda_serial | -6.995121913900000e+02 | 1.450000013392128e-06 | 9.119496939573130e-01 | PASS |
| spack_intel-2023a_impi | -6.995121937599999e+02 | -9.199999340125942e-07 | -5.786163106997447e-01 | PASS |
| spack_foss-2022a_mpi_debug | -6.995121939600000e+02 | -1.119999978982378e-06 | -7.044025025046401e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -6.995121926000000e+02 | 2.399999630142702e-07 | 1.509433729649498e-01 | PASS |
| spack_intel-2022a_impi_omp | -6.995121929500000e+02 | -1.099999735743040e-07 | -6.918237331717234e-02 | PASS |
| spack_foss-2022a_valgrind | -6.995121928300000e+02 | 1.000000793283107e-08 | 6.289313165302558e-03 | PASS |