Match comparison for Total energy (match type 24570)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.178845955000000e+00 | 8.080000000000000e-07 | -4.178845958333333e+00 | 1.844586674349165e-07 | -4.178846155000000e+00 | 4.250000000816101e-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: -4.178845955, precision: 0.000000808| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -4.178845930000000e+00 | 2.500000029215244e-08 | 3.094059442098073e-02 | PASS |
| spack_foss-2022a_serial | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| foss-2022a_opt | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| spack_foss-2022a_serial_min | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| eb_foss-2022a | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| foss-2022a_omp | -4.178846060000000e+00 | -1.049999998059548e-07 | -1.299504948093499e-01 | PASS |
| spack_foss-2022a_serial_debug | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| eb_foss-2022b_libxc6 | -4.178846030000000e+00 | -7.499999998827889e-08 | -9.282178216371149e-02 | PASS |
| eb_fosscuda-2022a | -4.178846580000000e+00 | -6.250000001983835e-07 | -7.735148517306727e-01 | PASS |
| spack_foss-2022a_serial_omp | -4.178846060000000e+00 | -1.049999998059548e-07 | -1.299504948093499e-01 | PASS |
| eb_foss-2022a_debug | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| spack_foss-2022a_serial_opt | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| eb_foss-2022a_mpi | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -4.178846030000000e+00 | -7.499999998827889e-08 | -9.282178216371149e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -4.178846120000000e+00 | -1.650000003294849e-07 | -2.042079211998576e-01 | PASS |
| eb_foss-2022a_mpi_debug | -4.178845850000000e+00 | 1.049999998059548e-07 | 1.299504948093499e-01 | PASS |
| foss-2022a_mpi_omp | -4.178846060000000e+00 | -1.049999998059548e-07 | -1.299504948093499e-01 | PASS |
| eb_foss-2022a_valgrind | -4.178845730000000e+00 | 2.249999999648367e-07 | 2.784653464911345e-01 | PASS |