Match comparison for H2 Electrons (match type 15307)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.853378625135800e+00 | 9.270000000000000e-13 | 1.853378625135806e+00 | 1.322051414707577e-15 | 1.853378625135806e+00 | 2.442490654175344e-15 | PASS |
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Detailed information
Reference: 1.8533786251358, precision: 0.000000000000927| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.853378625135808e+00 | 7.993605777301127e-15 | 8.623091453399274e-03 | PASS |
| spack_foss-2022a_cuda_serial | 1.853378625135805e+00 | 5.107025913275720e-15 | 5.509197317449537e-03 | PASS |
| spack_foss-2022a_serial | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| spack_foss-2022a_mpi | 1.853378625135806e+00 | 6.217248937900877e-15 | 6.706848908199435e-03 | PASS |
| spack_foss-2022a_serial_min | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| spack_foss-2022a_mpi_min | 1.853378625135806e+00 | 6.217248937900877e-15 | 6.706848908199435e-03 | PASS |
| spack_foss-2022a_mpi_opt | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| spack_foss-2022a_serial_opt | 1.853378625135806e+00 | 6.439293542825908e-15 | 6.946379226349416e-03 | PASS |
| spack_foss-2022a_serial_debug | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| spack_foss-2023a_serial | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.853378625135807e+00 | 6.661338147750939e-15 | 7.185909544499395e-03 | PASS |
| spack_foss-2023a_serial_omp | 1.853378625135807e+00 | 7.105427357601002e-15 | 7.664970180799355e-03 | PASS |
| spack_foss-2022a_mpi_debug | 1.853378625135806e+00 | 6.217248937900877e-15 | 6.706848908199435e-03 | PASS |
| spack_foss-2023a_serial_min | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| spack_intel-2022a_serial_omp | 1.853378625135804e+00 | 3.996802888650564e-15 | 4.311545726699637e-03 | PASS |
| spack_intel-2023a_serial | 1.853378625135803e+00 | 3.108624468950438e-15 | 3.353424454099718e-03 | PASS |
| spack_intel-2023a_serial_omp | 1.853378625135804e+00 | 3.996802888650564e-15 | 4.311545726699637e-03 | PASS |
| spack_intel-2023a_impi | 1.853378625135806e+00 | 5.551115123125783e-15 | 5.988257953749496e-03 | PASS |
| spack_intel-2022a_impi_omp | 1.853378625135807e+00 | 6.883382752675971e-15 | 7.425439862649375e-03 | PASS |
| spack_foss-2022a_valgrind | 1.853378625135806e+00 | 6.439293542825908e-15 | 6.946379226349416e-03 | PASS |