Match comparison for Total energy (match type 30880)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.657342398500000e+02 | 4.460000000000000e-06 | -2.657342376143333e+02 | 2.409194453011518e-06 | -2.657342390350000e+02 | 4.215000018348292e-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: -265.73423985, precision: 0.00000446| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.657342378500000e+02 | 1.999999994950485e-06 | 4.484304921413645e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.657342378500000e+02 | 1.999999994950485e-06 | 4.484304921413645e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.657342378500000e+02 | 1.999999994950485e-06 | 4.484304921413645e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.657342393800000e+02 | 4.699999749391282e-07 | 1.053811603002530e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.657342393800000e+02 | 4.699999749391282e-07 | 1.053811603002530e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.657342393800000e+02 | 4.699999749391282e-07 | 1.053811603002530e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.657342378500000e+02 | 1.999999994950485e-06 | 4.484304921413645e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.657342393800000e+02 | 4.699999749391282e-07 | 1.053811603002530e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.657342385800000e+02 | 1.269999984288006e-06 | 2.847533597058310e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.657342393800000e+02 | 4.699999749391282e-07 | 1.053811603002530e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.657342348600000e+02 | 4.989999979443382e-06 | 1.118834076108382e+00 | FAIL |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.657342348200000e+02 | 5.030000011174707e-06 | 1.127802693088499e+00 | FAIL |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.657342348600000e+02 | 4.989999979443382e-06 | 1.118834076108382e+00 | FAIL |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.657342348200000e+02 | 5.030000011174707e-06 | 1.127802693088499e+00 | FAIL |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.657342348600000e+02 | 4.989999979443382e-06 | 1.118834076108382e+00 | FAIL |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.657342348200000e+02 | 5.030000011174707e-06 | 1.127802693088499e+00 | FAIL |
| foss_debug_autotools: [foss2023a-serial] | -2.657342393800000e+02 | 4.699999749391282e-07 | 1.053811603002530e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.657342394400000e+02 | 4.099999841855606e-07 | 9.192824757523781e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.657342348200000e+02 | 5.030000011174707e-06 | 1.127802693088499e+00 | FAIL |
| intel_omp_autotools: [intel2022a-serial] | -2.657342384200000e+02 | 1.429999997526465e-06 | 3.206278021359788e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.657342387100000e+02 | 1.139999994848040e-06 | 2.556053800107713e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.657342348600000e+02 | 4.989999979443382e-06 | 1.118834076108382e+00 | FAIL |
| foss_ppc_autotools: [foss2022a-serial] | -2.657342371400000e+02 | 2.709999989747303e-06 | 6.076233160868392e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.657342348200000e+02 | 5.030000011174707e-06 | 1.127802693088499e+00 | FAIL |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.657342348200000e+02 | 5.030000011174707e-06 | 1.127802693088499e+00 | FAIL |
| intel_mpi_autotools: [intel2023a-mpi] | -2.657342355000000e+02 | 4.349999983332964e-06 | 9.753363191329516e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.657342415600000e+02 | -1.709999992272060e-06 | -3.834080700161570e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.657342377200000e+02 | 2.129999984390452e-06 | 4.775784718364242e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.657342432500000e+02 | -3.400000025521877e-06 | -7.623318442874163e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.657342420700000e+02 | -2.219999998942512e-06 | -4.977578472965274e-01 | PASS |