Match comparison for Hartree energy (match type 30627)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.826117060000000e+00 | 1.410000000000000e-07 | 2.826117001111111e+00 | 3.928371005977999e-08 | 2.826117065000000e+00 | 7.499999998827889e-08 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 2.82611706, precision: 0.000000141| Run | Value | Difference | Relative difference | Status |
| foss-ppc: [foss2022a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| intel-serial: [intel2023a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| valgrind: [foss2023a-serial] | 2.826116990000000e+00 | -7.000000001866624e-08 | -4.964539008416045e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 2.826117140000000e+00 | 7.999999995789153e-08 | 5.673758862261811e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 2.826117140000000e+00 | 7.999999995789153e-08 | 5.673758862261811e-01 | PASS |