Match comparison for Hartree energy (match type 28154)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.892364110000000e+00 | 1.150000000000000e-07 | 1.892364137500000e+00 | 2.487468589923009e-08 | 1.892364175000000e+00 | 4.499999994855841e-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: 1.89236411, precision: 0.000000115| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2022a_serial_min | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2022a_serial | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2022a_mpi | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023a_mpi | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023a_serial | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023a_serial_min | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2023b_serial | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_intel-2023a_serial | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_intel-2023a_impi | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.892364220000000e+00 | 1.099999999976120e-07 | 9.565217391096696e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.892364220000000e+00 | 1.099999999976120e-07 | 9.565217391096696e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.892364130000000e+00 | 2.000000010049519e-08 | 1.739130443521321e-01 | PASS |