Match comparison for Total energy (match type 22508)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.672839925000000e+01 | 2.340000000000000e-07 | -4.672839929038462e+01 | 8.978936075245742e-09 | -4.672839927500000e+01 | 2.499999851579560e-08 | 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: -46.72839925, precision: 0.000000234| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| eb_foss-2022a | -4.672839930000000e+01 | -4.999999703159119e-08 | -2.136752009897059e-01 | PASS |
| eb_fosscuda-2022a | -4.672839925000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -4.672839930000000e+01 | -4.999999703159119e-08 | -2.136752009897059e-01 | PASS |
| eb_foss-2022a_mpi | -4.672839930000000e+01 | -4.999999703159119e-08 | -2.136752009897059e-01 | PASS |
| eb_foss-2022b_libxc6 | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| foss-2022a_opt | -4.672839930000000e+01 | -4.999999703159119e-08 | -2.136752009897059e-01 | PASS |
| intel-2022a | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| foss-2022a_omp | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| intel-2022b | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| spack_foss-2022a_serial | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| eb_foss-2022a_mpi_debug | -4.672839930000000e+01 | -4.999999703159119e-08 | -2.136752009897059e-01 | PASS |
| intel-2022a_omp | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| intel-2022a_impi | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| intel-2022b_impi | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| foss-2022a_mpi_omp | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| spack_foss-2022a_serial_min | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| spack_foss-2022a_serial_opt | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| spack_foss-2022a_serial_debug | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| spack_foss-2022a_serial_omp | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |
| intel-2022a_omp_impi | -4.672839929000000e+01 | -3.999999620418748e-08 | -1.709401547187499e-01 | PASS |