Match comparison for N_electrons [step 500] (match type 24580)
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Input 04-lithium.02-absorbing_boundaries.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.926157647067783e+00 | 1.820000000000000e-07 | 2.926157668589116e+00 | 8.559033292011173e-08 | 2.926157598434355e+00 | 1.294198159751403e-07 | PASS |
Checks for this match
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Detailed information
Reference: 2.9261576470677833, precision: 0.000000182| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2022a_serial | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.926157655583581e+00 | 8.515797844665940e-09 | 4.679009804761506e-02 | PASS |
| spack_foss-2022a_ppc | 2.926157688275242e+00 | 4.120745922264746e-08 | 2.264146111134476e-01 | PASS |
| cmake_foss_2022a_full_serial | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2022a_mpi | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2023a_serial | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.926157668947451e+00 | 2.187966741118430e-08 | 1.202179528087050e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2023a_serial_min | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.926157545191002e+00 | -1.018767807892118e-07 | -5.597625318088562e-01 | PASS |
| spack_foss-2023b_serial | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.926157545191002e+00 | -1.018767807892118e-07 | -5.597625318088562e-01 | PASS |
| spack_intel-2023a_serial | 2.926157469014539e+00 | -1.780532441486571e-07 | -9.783145282893247e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.926157588586445e+00 | -5.848133799446487e-08 | -3.213260329366202e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.926157573836807e+00 | -7.323097594991168e-08 | -4.023679997247895e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.926157588586445e+00 | -5.848133799446487e-08 | -3.213260329366202e-01 | PASS |
| spack_foss-2023a_valgrind | 2.926157554747275e+00 | -9.232050857121976e-08 | -5.072555416001087e-01 | PASS |
| spack_intel-2023a_impi | 2.926157469014539e+00 | -1.780532441486571e-07 | -9.783145282893247e-01 | PASS |
| spack_foss-2023a_mpi | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.926157727854171e+00 | 8.078638780162350e-08 | 4.438812516572720e-01 | PASS |