Match comparison for Total energy (match type 23877)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.079693624500000e+01 | 1.360000000000000e-04 | -2.079700343423077e+01 | 1.905678340198220e-05 | -2.079697731500000e+01 | 3.660500000002287e-05 | 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: -20.796936244999998, precision: 0.000136| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.079701129000000e+01 | -7.504500000266034e-05 | -5.518014706077966e-01 | PASS |
| foss-2022a_ppc | -2.079701030000000e+01 | -7.405500000245979e-05 | -5.445220588416161e-01 | PASS |
| spack_foss-2022a_serial_min | -2.079699052000000e+01 | -5.427500000365626e-05 | -3.990808823798254e-01 | PASS |
| spack_foss-2022a_serial | -2.079699052000000e+01 | -5.427500000365626e-05 | -3.990808823798254e-01 | PASS |
| foss-2022a_opt | -2.079701392000000e+01 | -7.767500000355199e-05 | -5.711397059084705e-01 | PASS |
| intel-2022b | -2.079701285000000e+01 | -7.660500000383763e-05 | -5.632720588517472e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.079701122000000e+01 | -7.497500000397395e-05 | -5.512867647351025e-01 | PASS |
| intel-2022a | -2.079701285000000e+01 | -7.660500000383763e-05 | -5.632720588517472e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.079701122000000e+01 | -7.497500000397395e-05 | -5.512867647351025e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.079701146000000e+01 | -7.521500000251535e-05 | -5.530514706067305e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.079699052000000e+01 | -5.427500000365626e-05 | -3.990808823798254e-01 | PASS |
| foss-2022a_omp | -2.079701212000000e+01 | -7.587500000383329e-05 | -5.579044117928919e-01 | PASS |
| intel-2022a_omp | -2.079701143000000e+01 | -7.518500000358586e-05 | -5.528308823793078e-01 | PASS |
| intel-2022b_impi | -2.079700942000000e+01 | -7.317500000070254e-05 | -5.380514705934011e-01 | PASS |
| intel-2022a_impi | -2.079700942000000e+01 | -7.317500000070254e-05 | -5.380514705934011e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.079701129000000e+01 | -7.504500000266034e-05 | -5.518014706077966e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.079694071000000e+01 | -4.465000003506248e-06 | -3.283088237872241e-02 | PASS |
| eb_fosscuda-2022a | -2.079694242000000e+01 | -6.175000002883735e-06 | -4.540441178590982e-02 | PASS |
| foss-2022a_mpi_omp | -2.079701089000000e+01 | -7.464500000153862e-05 | -5.488602941289604e-01 | PASS |
| eb_foss-2022a | -2.079701115000000e+01 | -7.490500000173483e-05 | -5.507720588362855e-01 | PASS |
| eb_foss-2022b_libxc6 | -2.079700893000000e+01 | -7.268500000279232e-05 | -5.344485294322965e-01 | PASS |
| eb_foss-2022a_debug | -2.079701115000000e+01 | -7.490500000173483e-05 | -5.507720588362855e-01 | PASS |
| intel-2022a_omp_impi | -2.079701119000000e+01 | -7.494500000149174e-05 | -5.510661764815569e-01 | PASS |
| eb_foss-2022a_mpi | -2.079701042000000e+01 | -7.417500000173050e-05 | -5.454044117774302e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.079701166000000e+01 | -7.541500000129986e-05 | -5.545220588330873e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.079701042000000e+01 | -7.417500000173050e-05 | -5.454044117774302e-01 | PASS |