Match comparison for Free energy (match type 24666)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -6.995121933800000e+02 | 9.850000000000001e-07 | -6.995121935325000e+02 | 6.992272518519723e-07 | -6.995121927000000e+02 | 1.310000016019330e-06 | FAIL |
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: -699.51219338, precision: 0.000000985| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -6.995121927200000e+02 | 6.599999551326619e-07 | 6.700507158707226e-01 | PASS |
| spack_foss-2022a_cuda_serial | -6.995121913900000e+02 | 1.989999987017654e-06 | 2.020304555347872e+00 | FAIL |
| spack_foss-2022a_serial | -6.995121940100000e+02 | -6.300000450210064e-07 | -6.395939543360470e-01 | PASS |
| spack_foss-2022a_mpi | -6.995121939600000e+02 | -5.800000053568510e-07 | -5.888324927480720e-01 | PASS |
| spack_foss-2022a_serial_min | -6.995121940100000e+02 | -6.300000450210064e-07 | -6.395939543360470e-01 | PASS |
| spack_foss-2022a_mpi_min | -6.995121939600000e+02 | -5.800000053568510e-07 | -5.888324927480720e-01 | PASS |
| spack_foss-2022a_mpi_opt | -6.995121939600000e+02 | -5.800000053568510e-07 | -5.888324927480720e-01 | PASS |
| spack_foss-2022a_serial_opt | -6.995121940100000e+02 | -6.300000450210064e-07 | -6.395939543360470e-01 | PASS |
| spack_foss-2022a_serial_debug | -6.995121940100000e+02 | -6.300000450210064e-07 | -6.395939543360470e-01 | PASS |
| spack_foss-2023a_serial | -6.995121940100000e+02 | -6.300000450210064e-07 | -6.395939543360470e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -6.995121926000000e+02 | 7.799999366397969e-07 | 7.918781082637532e-01 | PASS |
| spack_foss-2023a_serial_omp | -6.995121938700000e+02 | -4.900000476482091e-07 | -4.974619773078265e-01 | PASS |
| spack_foss-2022a_mpi_debug | -6.995121939600000e+02 | -5.800000053568510e-07 | -5.888324927480720e-01 | PASS |
| spack_foss-2023a_serial_min | -6.995121940100000e+02 | -6.300000450210064e-07 | -6.395939543360470e-01 | PASS |
| spack_intel-2022a_serial_omp | -6.995121929400000e+02 | 4.400000079840538e-07 | 4.467005157198515e-01 | PASS |
| spack_intel-2023a_serial | -6.995121937599999e+02 | -3.799999603870674e-07 | -3.857867618142816e-01 | PASS |
| spack_intel-2023a_serial_omp | -6.995121939300000e+02 | -5.499999815583578e-07 | -5.583756157952871e-01 | PASS |
| spack_intel-2023a_impi | -6.995121937599999e+02 | -3.799999603870674e-07 | -3.857867618142816e-01 | PASS |
| spack_intel-2022a_impi_omp | -6.995121929500000e+02 | 4.300000000512227e-07 | 4.365482234022566e-01 | PASS |
| spack_foss-2022a_valgrind | -6.995121928300000e+02 | 5.499999815583578e-07 | 5.583756157952871e-01 | PASS |