Match comparison for Total energy (match type 25785)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.840251507400000e+02 | 2.910000000000000e-05 | -1.840251576055556e+02 | 9.503735020964913e-08 | -1.840251576200000e+02 | 1.199999957179898e-07 | 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: -184.02515074000002, precision: 0.0000291| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| spack_foss-2023a_serial_min | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| spack_foss-2022a_serial | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| spack_foss-2023a_serial | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| spack_foss-2022a_ppc | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |
| spack_foss-2022a_mpi | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |
| spack_foss-2023a_mpi | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.840251575000000e+02 | -6.759999990890719e-06 | -2.323024051852481e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.840251577400000e+02 | -6.999999982326699e-06 | -2.405498275713642e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.840251575200000e+02 | -6.779999978334672e-06 | -2.329896899771365e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.840251575000000e+02 | -6.759999990890719e-06 | -2.323024051852481e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| spack_foss-2023b_serial | -1.840251576800000e+02 | -6.939999991573131e-06 | -2.384879722190080e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.840251577000000e+02 | -6.959999979017084e-06 | -2.391752570108964e-01 | PASS |
| spack_intel-2023a_serial | -1.840251577300000e+02 | -6.989999974393868e-06 | -2.402061846870745e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.840251577300000e+02 | -6.989999974393868e-06 | -2.402061846870745e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.840251575000000e+02 | -6.759999990890719e-06 | -2.323024051852481e-01 | PASS |
| spack_intel-2023a_impi | -1.840251577200000e+02 | -6.979999994882746e-06 | -2.398625427794758e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.840251575100000e+02 | -6.769999998823550e-06 | -2.326460480695378e-01 | PASS |