Match comparison for nuclei-solvent int. energy (match type 17019)
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Input 20-pcm-local-field-absorption.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.109000000000000e-05 | 1.210000000000000e-07 | -3.118307692307692e-05 | 5.862325810233158e-08 | -3.109000000000000e-05 | 1.100000000000006e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.00003109, precision: 0.000000121| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| eb_foss-2022a | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| eb_foss-2022a_debug | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| eb_fosscuda-2022a | -3.098000000000000e-05 | 1.100000000000040e-07 | 9.090909090909423e-01 | PASS |
| eb_foss-2022a_mpi | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| foss-2022a_opt | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| foss-2022a_omp | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| intel-2022a | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| intel-2022b | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| spack_foss-2022a_serial | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| intel-2022a_omp | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| spack_foss-2022a_serial_min | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.098000000000000e-05 | 1.100000000000040e-07 | 9.090909090909423e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| intel-2022a_impi | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| intel-2022b_impi | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| foss-2022a_mpi_omp | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |
| intel-2022a_omp_impi | -3.120000000000000e-05 | -1.099999999999973e-07 | -9.090909090908863e-01 | PASS |