Match comparison for Total energy (match type 13805)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.551960517750000e+02 | 4.000000000000000e-04 | -1.551963768493103e+02 | 1.652696068948842e-04 | -1.551960957200000e+02 | 3.261099999889439e-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: -155.196051775, precision: 0.0004| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| spack_foss-2022a_serial_min | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| spack_foss-2022a_serial | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| foss-2022a_opt | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| intel-2022b | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| intel-2022a | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| foss-2022a_omp | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| spack_foss-2022a_mpi | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| intel-2022a_omp | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| intel-2022a_impi | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| eb_fosscuda-2022a | -1.551957696100000e+02 | 2.821649999873443e-04 | 7.054124999683609e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| foss-2022a_mpi_omp | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| eb_foss-2022a | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| intel-2022a_omp_impi | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| eb_foss-2022a_debug | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| eb_foss-2022a_mpi | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.551957696100000e+02 | 2.821649999873443e-04 | 7.054124999683609e-01 | PASS |
| intel-2022b_impi | -1.551964218300000e+02 | -3.700549999905434e-04 | -9.251374999763584e-01 | PASS |