Match comparison for Exchange energy (match type 28982)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.445723510000000e+00 | 7.800000000000000e-06 | -3.445717268888890e+00 | 3.695510121972673e-06 | -3.445722835000000e+00 | 7.444999999828283e-06 | FAIL |
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: -3.44572351, precision: 0.0000078| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.445715990000000e+00 | 7.520000000038607e-06 | 9.641025641075137e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.445716170000000e+00 | 7.340000000244373e-06 | 9.410256410569710e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.445716170000000e+00 | 7.340000000244373e-06 | 9.410256410569710e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.445730280000000e+00 | -6.769999999711729e-06 | -8.679487179117601e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.445715390000000e+00 | 8.119999999944838e-06 | 1.041025641018569e+00 | FAIL |
| cmake_foss_2022a_full_mpi | -3.445715390000000e+00 | 8.119999999944838e-06 | 1.041025641018569e+00 | FAIL |
| spack_foss-2022a_serial_min | -3.445716750000000e+00 | 6.760000000216593e-06 | 8.666666666944350e-01 | PASS |
| spack_foss-2022a_serial | -3.445716750000000e+00 | 6.760000000216593e-06 | 8.666666666944350e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.445716000000000e+00 | 7.510000000099382e-06 | 9.628205128332541e-01 | PASS |
| spack_foss-2022a_mpi | -3.445716000000000e+00 | 7.510000000099382e-06 | 9.628205128332541e-01 | PASS |
| spack_foss-2023a_mpi | -3.445716000000000e+00 | 7.510000000099382e-06 | 9.628205128332541e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.445716000000000e+00 | 7.510000000099382e-06 | 9.628205128332541e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.445716000000000e+00 | 7.510000000099382e-06 | 9.628205128332541e-01 | PASS |
| spack_foss-2023a_serial | -3.445716750000000e+00 | 6.760000000216593e-06 | 8.666666666944350e-01 | PASS |
| spack_foss-2023a_serial_min | -3.445716750000000e+00 | 6.760000000216593e-06 | 8.666666666944350e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.445730230000000e+00 | -6.720000000015602e-06 | -8.615384615404619e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.445715390000000e+00 | 8.119999999944838e-06 | 1.041025641018569e+00 | FAIL |
| spack_foss-2023a_serial_debug | -3.445716750000000e+00 | 6.760000000216593e-06 | 8.666666666944350e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.445716170000000e+00 | 7.340000000244373e-06 | 9.410256410569710e-01 | PASS |
| spack_foss-2023b_serial | -3.445716750000000e+00 | 6.760000000216593e-06 | 8.666666666944350e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.445716270000000e+00 | 7.239999999963942e-06 | 9.282051282005054e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.445716100000000e+00 | 7.410000000263040e-06 | 9.500000000337230e-01 | PASS |
| spack_intel-2023a_serial | -3.445716410000000e+00 | 7.099999999926609e-06 | 9.102564102470012e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.445716550000000e+00 | 6.959999999889277e-06 | 8.923076922934970e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.445716550000000e+00 | 6.959999999889277e-06 | 8.923076922934970e-01 | PASS |
| spack_intel-2023a_impi | -3.445716110000000e+00 | 7.399999999879725e-06 | 9.487179487025289e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.445716590000000e+00 | 6.920000000132376e-06 | 8.871794871964584e-01 | PASS |