Match comparison for Eigenvalues sum (match type 12946)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.455995490000000e+00 | 1.730000000000000e-07 | -3.455995568750000e+00 | 1.562916615390437e-08 | -3.455995570000000e+00 | 3.000000003972048e-08 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -3.45599549, precision: 0.000000173| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -3.455995550000000e+00 | -6.000000007944095e-08 | -3.468208097077511e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| eb_fosscuda-2022a | -3.455995550000000e+00 | -6.000000007944095e-08 | -3.468208097077511e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| eb_foss-2022a_debug | -3.455995580000000e+00 | -9.000000034120603e-08 | -5.202312158451216e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| eb_intel-2022a | -3.455995560000000e+00 | -7.000000001866624e-08 | -4.046242775645448e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| intel-2022b | -3.455995560000000e+00 | -7.000000001866624e-08 | -4.046242775645448e-01 | PASS |
| eb_intel-2022a_omp | -3.455995540000000e+00 | -5.000000014021566e-08 | -2.890173418509576e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.455995580000000e+00 | -9.000000034120603e-08 | -5.202312158451216e-01 | PASS |
| eb_intel-2022a_impi | -3.455995560000000e+00 | -7.000000001866624e-08 | -4.046242775645448e-01 | PASS |
| spack_foss-2022a_serial | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| spack_foss-2022a_mpi | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.455995540000000e+00 | -5.000000014021566e-08 | -2.890173418509576e-01 | PASS |
| spack_foss-2022a_serial_min | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| intel-2022b_impi | -3.455995560000000e+00 | -7.000000001866624e-08 | -4.046242775645448e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.455995600000000e+00 | -1.100000002196566e-07 | -6.358381515587087e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.455995570000000e+00 | -7.999999995789153e-08 | -4.624277454213384e-01 | PASS |
| spack_foss-2022a_mpi_omp | -3.455995600000000e+00 | -1.100000002196566e-07 | -6.358381515587087e-01 | PASS |
| eb_intel-2022a_omp_impi | -3.455995600000000e+00 | -1.100000002196566e-07 | -6.358381515587087e-01 | PASS |