Match comparison for H2 Electrons (match type 15358)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 30-local_multipoles.03-multipoles_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.853378625135800e+00 | 9.270000000000000e-13 | 1.853378625135806e+00 | 9.668506465255629e-16 | 1.853378625135807e+00 | 2.331468351712829e-15 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 1.8533786251358, precision: 0.000000000000927| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 1.853378625135810e+00 | 9.547918011776346e-15 | 1.029980368044913e-02 | PASS |
| cmake_foss_2022a_full_serial | 1.853378625135806e+00 | 6.439293542825908e-15 | 6.946379226349416e-03 | PASS |
| cmake_foss_2022a_min_serial | 1.853378625135806e+00 | 6.439293542825908e-15 | 6.946379226349416e-03 | PASS |
| cmake_foss_2022a_full_mpi | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| eb_fosscuda-2022a | 1.853378625135807e+00 | 6.661338147750939e-15 | 7.185909544499395e-03 | PASS |
| cmake_foss_2022a_min_mpi | 1.853378625135806e+00 | 6.439293542825908e-15 | 6.946379226349416e-03 | PASS |
| eb_foss-2022a_debug | 1.853378625135805e+00 | 5.329070518200751e-15 | 5.748727635599516e-03 | PASS |
| eb_foss-2022b_libxc6 | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| eb_intel-2022a | 1.853378625135805e+00 | 4.884981308350689e-15 | 5.269666999299556e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.853378625135806e+00 | 5.995204332975845e-15 | 6.467318590049456e-03 | PASS |
| intel-2022b | 1.853378625135805e+00 | 4.884981308350689e-15 | 5.269666999299556e-03 | PASS |
| eb_intel-2022a_omp | 1.853378625135807e+00 | 6.661338147750939e-15 | 7.185909544499395e-03 | PASS |
| eb_foss-2022a_mpi_debug | 1.853378625135807e+00 | 7.105427357601002e-15 | 7.664970180799355e-03 | PASS |
| eb_intel-2022a_impi | 1.853378625135806e+00 | 5.551115123125783e-15 | 5.988257953749496e-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_cuda_mpi_omp | 1.853378625135807e+00 | 6.661338147750939e-15 | 7.185909544499395e-03 | PASS |
| spack_foss-2022a_serial_min | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| intel-2022b_impi | 1.853378625135806e+00 | 5.551115123125783e-15 | 5.988257953749496e-03 | PASS |
| spack_foss-2022a_serial_debug | 1.853378625135807e+00 | 7.327471962526033e-15 | 7.904500498949335e-03 | PASS |
| spack_foss-2022a_serial_omp | 1.853378625135806e+00 | 6.439293542825908e-15 | 6.946379226349416e-03 | PASS |
| spack_foss-2022a_serial_opt | 1.853378625135806e+00 | 6.439293542825908e-15 | 6.946379226349416e-03 | PASS |
| spack_foss-2022a_mpi_omp | 1.853378625135806e+00 | 6.439293542825908e-15 | 6.946379226349416e-03 | PASS |
| eb_intel-2022a_omp_impi | 1.853378625135805e+00 | 5.329070518200751e-15 | 5.748727635599516e-03 | PASS |
| eb_foss-2022a_valgrind | 1.853378625135806e+00 | 6.217248937900877e-15 | 6.706848908199435e-03 | PASS |