Match comparison for Eigenvalues sum (match type 28347)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 09-basis_from_states.03-intersite.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.379824204000000e+01 | 6.900000000000000e-08 | -1.379824204740741e+01 | 7.978021814706885e-09 | -1.379824204500000e+01 | 1.499999946474873e-08 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -13.79824204, precision: 0.000000069| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| spack_foss-2022a_serial_min | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| foss-2022a_ppc | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| spack_foss-2022a_serial | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| foss-2022a_opt | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| intel-2022b | -1.379824203000000e+01 | 9.999999051046871e-09 | 1.449275224789402e-01 | PASS |
| intel-2022a | -1.379824203000000e+01 | 9.999999051046871e-09 | 1.449275224789402e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| foss-2022a_omp | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| intel-2022a_omp | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| intel-2022b_impi | -1.379824203000000e+01 | 9.999999051046871e-09 | 1.449275224789402e-01 | PASS |
| intel-2022a_impi | -1.379824203000000e+01 | 9.999999051046871e-09 | 1.449275224789402e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.379824206000000e+01 | -1.999999987845058e-08 | -2.898550707021824e-01 | PASS |
| eb_fosscuda-2022a | -1.379824206000000e+01 | -1.999999987845058e-08 | -2.898550707021824e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| foss-2022a_mpi_omp | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| eb_foss-2022a | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| eb_foss-2022a_debug | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| intel-2022a_omp_impi | -1.379824204000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.379824205000000e+01 | -1.000000082740371e-08 | -1.449275482232422e-01 | PASS |