Match comparison for Total energy (match type 29763)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.079684332000000e+01 | 2.940000000000000e-04 | -2.079708508961538e+01 | 8.518610276150504e-05 | -2.079688784000000e+01 | 2.229800000002058e-04 | 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: -20.79684332, precision: 0.000294| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.079710605000000e+01 | -2.627299999993227e-04 | -8.936394557800091e-01 | PASS |
| spack_foss-2022a_serial_min | -2.079710592000000e+01 | -2.625999999992246e-04 | -8.931972789089271e-01 | PASS |
| spack_foss-2023a_serial_min | -2.079710592000000e+01 | -2.625999999992246e-04 | -8.931972789089271e-01 | PASS |
| spack_foss-2023a_serial | -2.079710592000000e+01 | -2.625999999992246e-04 | -8.931972789089271e-01 | PASS |
| spack_foss-2022a_serial | -2.079710592000000e+01 | -2.625999999992246e-04 | -8.931972789089271e-01 | PASS |
| spack_foss-2022a_ppc | -2.079710539000000e+01 | -2.620699999980047e-04 | -8.913945578163427e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.079710605000000e+01 | -2.627299999993227e-04 | -8.936394557800091e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.079710492000000e+01 | -2.615999999981966e-04 | -8.897959183612130e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.079710492000000e+01 | -2.615999999981966e-04 | -8.897959183612130e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.079711082000000e+01 | -2.674999999996430e-04 | -9.098639455770171e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.079710592000000e+01 | -2.625999999992246e-04 | -8.931972789089271e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.079711082000000e+01 | -2.674999999996430e-04 | -9.098639455770171e-01 | PASS |
| spack_foss-2022a_mpi | -2.079710492000000e+01 | -2.615999999981966e-04 | -8.897959183612130e-01 | PASS |
| spack_foss-2023a_mpi | -2.079710492000000e+01 | -2.615999999981966e-04 | -8.897959183612130e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.079666486000000e+01 | 1.784600000007686e-04 | 6.070068027237026e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.079703686000000e+01 | -1.935399999979381e-04 | -6.582993197208781e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.079710492000000e+01 | -2.615999999981966e-04 | -8.897959183612130e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.079710539000000e+01 | -2.620699999980047e-04 | -8.913945578163427e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.079710605000000e+01 | -2.627299999993227e-04 | -8.936394557800091e-01 | PASS |
| spack_foss-2023b_serial | -2.079710592000000e+01 | -2.625999999992246e-04 | -8.931972789089271e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.079710459000000e+01 | -2.612699999993140e-04 | -8.886734693854218e-01 | PASS |
| spack_intel-2023a_serial | -2.079710604000000e+01 | -2.627199999984953e-04 | -8.936054421717526e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.079708868000000e+01 | -2.453600000009715e-04 | -8.345578231325560e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.079708868000000e+01 | -2.453600000009715e-04 | -8.345578231325560e-01 | PASS |
| spack_intel-2023a_impi | -2.079710695000000e+01 | -2.636299999991820e-04 | -8.967006802693266e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.079710498000000e+01 | -2.616599999996083e-04 | -8.899999999986677e-01 | PASS |