Match comparison for Energy [step 100] (match type 29346)
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.975208529592941e+00 | 1.000000000000000e-04 | -1.975208529592934e+00 | 7.495326993765787e-15 | -1.975208529592934e+00 | 1.243449787580175e-14 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -1.9752085295929414, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.975208529592927e+00 | 1.465494392505207e-14 | 1.465494392505207e-10 | PASS |
| spack_foss-2023a_serial_min | -1.975208529592927e+00 | 1.465494392505207e-14 | 1.465494392505207e-10 | PASS |
| spack_foss-2023a_serial_opt | -1.975208529592925e+00 | 1.598721155460225e-14 | 1.598721155460225e-10 | PASS |
| spack_foss-2023a_serial | -1.975208529592927e+00 | 1.465494392505207e-14 | 1.465494392505207e-10 | PASS |
| spack_foss-2023b_serial | -1.975208529592927e+00 | 1.465494392505207e-14 | 1.465494392505207e-10 | PASS |
| spack_foss-2022a_ppc | -1.975208529592929e+00 | 1.199040866595169e-14 | 1.199040866595169e-10 | PASS |
| spack_foss-2023a_mpi_min | -1.975208529592941e+00 | 4.440892098500626e-16 | 4.440892098500626e-12 | PASS |
| spack_foss-2023a_serial_debug | -1.975208529592927e+00 | 1.465494392505207e-14 | 1.465494392505207e-10 | PASS |
| spack_intel-2022a_serial_omp | -1.975208529592947e+00 | -5.329070518200751e-15 | -5.329070518200751e-11 | PASS |
| spack_foss-2023a_serial_omp | -1.975208529592940e+00 | 1.332267629550188e-15 | 1.332267629550188e-11 | PASS |
| spack_foss-2023a_mpi_opt | -1.975208529592941e+00 | 6.661338147750939e-16 | 6.661338147750939e-12 | PASS |
| cmake_foss_2022a_full_mpi | -1.975208529592941e+00 | 6.661338147750939e-16 | 6.661338147750939e-12 | PASS |
| spack_foss-2023a_mpi | -1.975208529592941e+00 | 4.440892098500626e-16 | 4.440892098500626e-12 | PASS |
| spack_intel-2023a_impi | -1.975208529592943e+00 | -1.998401444325282e-15 | -1.998401444325282e-11 | PASS |
| spack_foss-2023a_mpi_debug | -1.975208529592941e+00 | 4.440892098500626e-16 | 4.440892098500626e-12 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.975208529592937e+00 | 4.440892098500626e-15 | 4.440892098500626e-11 | PASS |
| spack_foss-2023a_mpi_omp | -1.975208529592936e+00 | 5.329070518200751e-15 | 5.329070518200751e-11 | PASS |
| cmake_foss_2022a_min_serial | -1.975208529592925e+00 | 1.598721155460225e-14 | 1.598721155460225e-10 | PASS |
| cmake_foss_2022a_full_serial | -1.975208529592925e+00 | 1.598721155460225e-14 | 1.598721155460225e-10 | PASS |
| cmake_foss_2022a_min_mpi | -1.975208529592936e+00 | 4.884981308350689e-15 | 4.884981308350689e-11 | PASS |
| spack_foss-2022a_serial | -1.975208529592927e+00 | 1.465494392505207e-14 | 1.465494392505207e-10 | PASS |
| spack_foss-2022a_mpi_min | -1.975208529592941e+00 | 4.440892098500626e-16 | 4.440892098500626e-12 | PASS |
| spack_intel-2022a_impi_omp | -1.975208529592940e+00 | 1.554312234475219e-15 | 1.554312234475219e-11 | PASS |
| spack_intel-2023a_serial | -1.975208529592931e+00 | 1.065814103640150e-14 | 1.065814103640150e-10 | PASS |
| spack_foss-2022a_mpi | -1.975208529592941e+00 | 4.440892098500626e-16 | 4.440892098500626e-12 | PASS |
| spack_intel-2023a_serial_omp | -1.975208529592946e+00 | -4.218847493575595e-15 | -4.218847493575595e-11 | PASS |
| spack_foss-2023a_valgrind | -1.975208529592922e+00 | 1.953992523340276e-14 | 1.953992523340276e-10 | PASS |
| spack_foss-2022a_cuda_serial | -1.975208529592927e+00 | 1.421085471520200e-14 | 1.421085471520200e-10 | PASS |