Match comparison for Total energy (match type 22286)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.131291354000000e+01 | 3.150000000000000e-07 | -3.131291350789473e+01 | 4.249816670484275e-08 | -3.131291351000000e+01 | 5.999999963535174e-08 | 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: -31.312913539999997, precision: 0.000000315| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.131291355000000e+01 | -1.000000438011739e-08 | -3.174604565116632e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.131291356000000e+01 | -2.000000165480742e-08 | -6.349206874542038e-02 | PASS |
| spack_foss-2022a_serial | -3.131291345000000e+01 | 8.999999678849235e-08 | 2.857142755190233e-01 | PASS |
| spack_foss-2022a_mpi | -3.131291353000000e+01 | 9.999997274690031e-09 | 3.174602309425407e-02 | PASS |
| spack_foss-2022a_serial_min | -3.131291345000000e+01 | 8.999999678849235e-08 | 2.857142755190233e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.131291353000000e+01 | 9.999997274690031e-09 | 3.174602309425407e-02 | PASS |
| spack_foss-2022a_mpi_opt | -3.131291353000000e+01 | 9.999997274690031e-09 | 3.174602309425407e-02 | PASS |
| spack_foss-2022a_serial_opt | -3.131291345000000e+01 | 8.999999678849235e-08 | 2.857142755190233e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.131291345000000e+01 | 8.999999678849235e-08 | 2.857142755190233e-01 | PASS |
| spack_foss-2023a_serial | -3.131291345000000e+01 | 8.999999678849235e-08 | 2.857142755190233e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.131291357000000e+01 | -3.000000248221113e-08 | -9.523810311813057e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.131291350000000e+01 | 3.999999620418748e-08 | 1.269841149339285e-01 | PASS |
| spack_foss-2022a_mpi_debug | -3.131291353000000e+01 | 9.999997274690031e-09 | 3.174602309425407e-02 | PASS |
| spack_foss-2023a_serial_min | -3.131291345000000e+01 | 8.999999678849235e-08 | 2.857142755190233e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.131291353000000e+01 | 9.999997274690031e-09 | 3.174602309425407e-02 | PASS |
| spack_intel-2023a_serial | -3.131291355000000e+01 | -1.000000438011739e-08 | -3.174604565116632e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.131291353000000e+01 | 9.999997274690031e-09 | 3.174602309425407e-02 | PASS |
| spack_intel-2023a_impi | -3.131291354000000e+01 | -3.552713678800501e-15 | -1.127845612317619e-08 | PASS |
| spack_intel-2022a_impi_omp | -3.131291350000000e+01 | 3.999999620418748e-08 | 1.269841149339285e-01 | PASS |