Match comparison for Total energy (match type 28977)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.092809308000000e+01 | 3.340000000000000e-05 | -2.092811625407407e+01 | 1.679983184689042e-05 | -2.092809112000000e+01 | 3.430000000115285e-05 | 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: -20.92809308, precision: 0.0000334| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.092811906000000e+01 | -2.598000000020306e-05 | -7.778443113833252e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.092812152000000e+01 | -2.844000000123970e-05 | -8.514970060251407e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.092812152000000e+01 | -2.844000000123970e-05 | -8.514970060251407e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.092805682000000e+01 | 3.626000000167551e-05 | 1.085628742565135e+00 | FAIL |
| cmake_foss_2022a_min_mpi | -2.092811140000000e+01 | -1.831999999879486e-05 | -5.485029939758939e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.092811140000000e+01 | -1.831999999879486e-05 | -5.485029939758939e-01 | PASS |
| spack_foss-2022a_serial_min | -2.092812491000000e+01 | -3.183000000106517e-05 | -9.529940120079393e-01 | PASS |
| spack_foss-2022a_serial | -2.092812491000000e+01 | -3.183000000106517e-05 | -9.529940120079393e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.092811923000000e+01 | -2.615000000005807e-05 | -7.829341317382656e-01 | PASS |
| spack_foss-2022a_mpi | -2.092811923000000e+01 | -2.615000000005807e-05 | -7.829341317382656e-01 | PASS |
| spack_foss-2023a_mpi | -2.092811923000000e+01 | -2.615000000005807e-05 | -7.829341317382656e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.092811923000000e+01 | -2.615000000005807e-05 | -7.829341317382656e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.092811923000000e+01 | -2.615000000005807e-05 | -7.829341317382656e-01 | PASS |
| spack_foss-2023a_serial | -2.092812491000000e+01 | -3.183000000106517e-05 | -9.529940120079393e-01 | PASS |
| spack_foss-2023a_serial_min | -2.092812491000000e+01 | -3.183000000106517e-05 | -9.529940120079393e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.092806028000000e+01 | 3.279999999961092e-05 | 9.820359281320634e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.092811140000000e+01 | -1.831999999879486e-05 | -5.485029939758939e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.092812491000000e+01 | -3.183000000106517e-05 | -9.529940120079393e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.092812152000000e+01 | -2.844000000123970e-05 | -8.514970060251407e-01 | PASS |
| spack_foss-2023b_serial | -2.092812491000000e+01 | -3.183000000106517e-05 | -9.529940120079393e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.092812092000000e+01 | -2.784000000133346e-05 | -8.335329341716606e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.092812112000000e+01 | -2.804000000011797e-05 | -8.395209580873644e-01 | PASS |
| spack_intel-2023a_serial | -2.092812383000000e+01 | -3.075000000052341e-05 | -9.206586826504016e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.092812276000000e+01 | -2.968000000080906e-05 | -8.886227545152413e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.092812276000000e+01 | -2.968000000080906e-05 | -8.886227545152413e-01 | PASS |
| spack_intel-2023a_impi | -2.092812152000000e+01 | -2.844000000123970e-05 | -8.514970060251407e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.092812542000000e+01 | -3.234000000063020e-05 | -9.682634730727605e-01 | PASS |