Match comparison for Casida spectrum tot (match type 13642)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.693374000000000e+00 | 4.850000000000000e-05 | 9.693384259259259e+00 | 1.409910055605735e-05 | 9.693374500000001e+00 | 2.050000000064500e-05 | PASS |
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Detailed information
Reference: 9.693374, precision: 0.0000485| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2022a_serial | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2022a_cuda_serial | 9.693395000000001e+00 | 2.100000000027080e-05 | 4.329896907272330e-01 | PASS |
| spack_foss-2022a_ppc | 9.693358000000000e+00 | -1.600000000046009e-05 | -3.298969072259813e-01 | PASS |
| cmake_foss_2022a_full_serial | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2022a_mpi_min | 9.693390000000001e+00 | 1.600000000046009e-05 | 3.298969072259813e-01 | PASS |
| spack_foss-2023a_mpi_min | 9.693390000000001e+00 | 1.600000000046009e-05 | 3.298969072259813e-01 | PASS |
| cmake_foss_2022a_min_serial | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2022a_mpi | 9.693390000000001e+00 | 1.600000000046009e-05 | 3.298969072259813e-01 | PASS |
| spack_foss-2023a_mpi | 9.693390000000001e+00 | 1.600000000046009e-05 | 3.298969072259813e-01 | PASS |
| cmake_foss_2022a_min_mpi | 9.693356000000000e+00 | -1.800000000073965e-05 | -3.711340206338071e-01 | PASS |
| spack_foss-2023a_serial | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 9.693393000000000e+00 | 1.899999999999125e-05 | 3.917525773194072e-01 | PASS |
| spack_foss-2023a_mpi_debug | 9.693390000000001e+00 | 1.600000000046009e-05 | 3.298969072259813e-01 | PASS |
| spack_foss-2023a_mpi_opt | 9.693390000000001e+00 | 1.600000000046009e-05 | 3.298969072259813e-01 | PASS |
| spack_foss-2023a_serial_min | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2023a_serial_debug | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2023a_serial_opt | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2023a_mpi_omp | 9.693365000000000e+00 | -9.000000000369823e-06 | -1.855670103169036e-01 | PASS |
| spack_foss-2023b_serial | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| spack_foss-2023a_serial_omp | 9.693358999999999e+00 | -1.500000000120849e-05 | -3.092783505403813e-01 | PASS |
| spack_intel-2023a_serial | 9.693357000000001e+00 | -1.699999999971169e-05 | -3.505154639115812e-01 | PASS |
| spack_intel-2022a_serial_omp | 9.693353999999999e+00 | -2.000000000101920e-05 | -4.123711340416331e-01 | PASS |
| spack_intel-2023a_serial_omp | 9.693394000000000e+00 | 1.999999999924285e-05 | 4.123711340050071e-01 | PASS |
| spack_intel-2022a_impi_omp | 9.693394000000000e+00 | 1.999999999924285e-05 | 4.123711340050071e-01 | PASS |
| spack_intel-2023a_impi | 9.693391999999999e+00 | 1.799999999896329e-05 | 3.711340205971813e-01 | PASS |
| cmake_foss_2022a_full_mpi | 9.693390000000001e+00 | 1.600000000046009e-05 | 3.298969072259813e-01 | PASS |