Match comparison for Hartree energy (match type 29807)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.808160820000000e+00 | 2.580000000000000e-07 | 2.808160886785715e+00 | 1.151103064033090e-07 | 2.808160815000000e+00 | 2.349999999040620e-07 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 2.8081608200000003, precision: 0.000000258| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2023a_serial_min | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2022a_serial | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2023a_serial | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2023b_serial | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2022a_ppc | 2.808160920000000e+00 | 9.999999983634211e-08 | 3.875968985904733e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.808160870000000e+00 | 4.999999969612645e-08 | 1.937984484345986e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2023a_mpi | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2022a_mpi | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.808160870000000e+00 | 4.999999969612645e-08 | 1.937984484345986e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| cmake_foss_2022a_full_serial | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.808160910000000e+00 | 8.999999945302761e-08 | 3.488372071822776e-01 | PASS |
| spack_intel-2023a_serial | 2.808161050000000e+00 | 2.299999994903601e-07 | 8.914728662417057e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.808160580000000e+00 | -2.400000003177638e-07 | -9.302325593711775e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.808160580000000e+00 | -2.400000003177638e-07 | -9.302325593711775e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.808160580000000e+00 | -2.400000003177638e-07 | -9.302325593711775e-01 | PASS |
| spack_intel-2023a_impi | 2.808161050000000e+00 | 2.299999994903601e-07 | 8.914728662417057e-01 | PASS |
| spack_foss-2023a_valgrind | 2.808161040000000e+00 | 2.199999995511348e-07 | 8.527131765547861e-01 | PASS |