Match comparison for Hartree energy (match type 29667)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.636231627000000e+01 | 2.630000000000000e-04 | 1.636248544583333e+01 | 7.474069161186663e-05 | 1.636231723500000e+01 | 1.901449999994753e-04 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 16.36231627, precision: 0.000263| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.636250031000000e+01 | 1.840400000006071e-04 | 6.997718631201789e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.636250034000000e+01 | 1.840699999995365e-04 | 6.998859315571732e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.636250031000000e+01 | 1.840400000006071e-04 | 6.997718631201789e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.636250034000000e+01 | 1.840699999995365e-04 | 6.998859315571732e-01 | PASS |
| spack_foss-2022a_serial_min | 1.636250031000000e+01 | 1.840400000006071e-04 | 6.997718631201789e-01 | PASS |
| spack_foss-2022a_serial | 1.636250031000000e+01 | 1.840400000006071e-04 | 6.997718631201789e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.636250034000000e+01 | 1.840699999995365e-04 | 6.998859315571732e-01 | PASS |
| spack_foss-2022a_mpi | 1.636250034000000e+01 | 1.840699999995365e-04 | 6.998859315571732e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.636250034000000e+01 | 1.840699999995365e-04 | 6.998859315571732e-01 | PASS |
| spack_foss-2023a_mpi | 1.636250034000000e+01 | 1.840699999995365e-04 | 6.998859315571732e-01 | PASS |
| spack_foss-2023a_serial | 1.636250031000000e+01 | 1.840400000006071e-04 | 6.997718631201789e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.636250034000000e+01 | 1.840699999995365e-04 | 6.998859315571732e-01 | PASS |
| spack_foss-2023a_serial_min | 1.636250031000000e+01 | 1.840400000006071e-04 | 6.997718631201789e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.636250031000000e+01 | 1.840400000006071e-04 | 6.997718631201789e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.636250456000000e+01 | 1.882900000005350e-04 | 7.159315589373954e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.636250284000000e+01 | 1.865700000003301e-04 | 7.093916349822437e-01 | PASS |
| spack_foss-2023b_serial | 1.636250031000000e+01 | 1.840400000006071e-04 | 6.997718631201789e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.636250006000000e+01 | 1.837899999976855e-04 | 6.988212927668651e-01 | PASS |
| spack_intel-2023a_serial | 1.636250141000000e+01 | 1.851399999992509e-04 | 7.039543726207259e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.636250106000000e+01 | 1.847899999987135e-04 | 7.026235741395950e-01 | PASS |
| spack_intel-2023a_impi | 1.636250141000000e+01 | 1.851399999992509e-04 | 7.039543726207259e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.636212709000000e+01 | -1.891799999995669e-04 | -7.193155893519655e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.636250738000000e+01 | 1.911099999993837e-04 | 7.266539923930940e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.636250003000000e+01 | 1.837599999987560e-04 | 6.987072243298709e-01 | PASS |