Match comparison for N_electrons [step 500] (match type 24580)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 04-lithium.02-absorbing_boundaries.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.926157647067783e+00 | 1.820000000000000e-07 | 2.926157684506202e+00 | 6.120806630933951e-08 | 2.926157604796493e+00 | 1.230576769373215e-07 | PASS |
Checks for this match
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Detailed information
Reference: 2.9261576470677833, precision: 0.000000182| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| spack_foss-2022a_serial_min | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| foss-2022a_ppc | 2.926157577308873e+00 | -6.975891064797679e-08 | -3.832907178460264e-01 | PASS |
| spack_foss-2022a_serial_opt | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| spack_foss-2022a_serial | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| foss-2022a_opt | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| intel-2022b | 2.926157647980275e+00 | 9.124914157609965e-10 | 5.013689097587893e-03 | PASS |
| intel-2022a | 2.926157647980275e+00 | 9.124914157609965e-10 | 5.013689097587893e-03 | PASS |
| spack_foss-2022a_serial_omp | 2.926157719175094e+00 | 7.210731123308278e-08 | 3.961940177641912e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| spack_foss-2022a_serial_debug | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| foss-2022a_omp | 2.926157719175094e+00 | 7.210731123308278e-08 | 3.961940177641912e-01 | PASS |
| intel-2022a_omp | 2.926157651138054e+00 | 4.070271231171319e-09 | 2.236412764379845e-02 | PASS |
| intel-2022b_impi | 2.926157647980275e+00 | 9.124914157609965e-10 | 5.013689097587893e-03 | PASS |
| intel-2022a_impi | 2.926157647980275e+00 | 9.124914157609965e-10 | 5.013689097587893e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | 2.926157688443404e+00 | 4.137562070738454e-08 | 2.273385753152997e-01 | PASS |
| eb_fosscuda-2022a | 2.926157481738816e+00 | -1.653289674052871e-07 | -9.084009198092700e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| foss-2022a_mpi_omp | 2.926157719175094e+00 | 7.210731123308278e-08 | 3.961940177641912e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| eb_foss-2022a | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| eb_foss-2022b_libxc6 | 2.926157664282993e+00 | 1.721521014630412e-08 | 9.458906673793471e-02 | PASS |
| eb_foss-2022a_debug | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| intel-2022a_omp_impi | 2.926157672680656e+00 | 2.561287315572258e-08 | 1.407300722841900e-01 | PASS |
| eb_foss-2022a_mpi | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.926157664282993e+00 | 1.721521014630412e-08 | 9.458906673793471e-02 | PASS |
| eb_foss-2022a_mpi_debug | 2.926157727854170e+00 | 8.078638646935588e-08 | 4.438812443371202e-01 | PASS |
| eb_foss-2022a_valgrind | 2.926157554747272e+00 | -9.232051123575502e-08 | -5.072555562404122e-01 | PASS |