Match comparison for M-solvent int. energy @ t=0 (match type 25481)
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.215432382877802e+00 | 4.120000000000000e-13 | -3.215432382877846e+00 | 1.018396093126878e-13 | -3.215432382877718e+00 | 2.899902540320909e-13 | PASS |
Checks for this match
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Detailed information
Reference: -3.215432382877802, precision: 0.000000000000412| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.215432382877428e+00 | 3.743672039036028e-13 | 9.086582619019484e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.215432382877887e+00 | -8.482103908136196e-14 | -2.058763084499077e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.215432382877887e+00 | -8.482103908136196e-14 | -2.058763084499077e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.215432382877911e+00 | -1.092459456231154e-13 | -2.651600621920276e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.215432382877887e+00 | -8.482103908136196e-14 | -2.058763084499077e-01 | PASS |
| eb_foss-2022a | -3.215432382877863e+00 | -6.084022174945858e-14 | -1.476704411394626e-01 | PASS |
| eb_foss-2022a_debug | -3.215432382877863e+00 | -6.084022174945858e-14 | -1.476704411394626e-01 | PASS |
| eb_fosscuda-2022a | -3.215432382877839e+00 | -3.641531520770513e-14 | -8.838668739734255e-02 | PASS |
| eb_foss-2022a_mpi | -3.215432382877718e+00 | 8.437694987151190e-14 | 2.047984220182328e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.215432382878008e+00 | -2.056133041605790e-13 | -4.990614178654830e-01 | PASS |
| foss-2022a_opt | -3.215432382877863e+00 | -6.084022174945858e-14 | -1.476704411394626e-01 | PASS |
| foss-2022a_omp | -3.215432382877935e+00 | -1.332267629550188e-13 | -3.233659295024728e-01 | PASS |
| intel-2022a | -3.215432382877839e+00 | -3.641531520770513e-14 | -8.838668739734255e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.215432382877839e+00 | -3.641531520770513e-14 | -8.838668739734255e-02 | PASS |
| intel-2022b | -3.215432382877839e+00 | -3.641531520770513e-14 | -8.838668739734255e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.215432382877718e+00 | 8.437694987151190e-14 | 2.047984220182328e-01 | PASS |
| spack_foss-2022a_serial | -3.215432382877887e+00 | -8.482103908136196e-14 | -2.058763084499077e-01 | PASS |
| intel-2022a_omp | -3.215432382877863e+00 | -6.084022174945858e-14 | -1.476704411394626e-01 | PASS |
| spack_foss-2022a_serial_min | -3.215432382877887e+00 | -8.482103908136196e-14 | -2.058763084499077e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.215432382877839e+00 | -3.641531520770513e-14 | -8.838668739734255e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.215432382877887e+00 | -8.482103908136196e-14 | -2.058763084499077e-01 | PASS |
| intel-2022a_impi | -3.215432382877815e+00 | -1.243449787580175e-14 | -3.018082008689746e-02 | PASS |
| intel-2022b_impi | -3.215432382877815e+00 | -1.243449787580175e-14 | -3.018082008689746e-02 | PASS |
| foss-2022a_mpi_omp | -3.215432382877887e+00 | -8.482103908136196e-14 | -2.058763084499077e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.215432382877863e+00 | -6.084022174945858e-14 | -1.476704411394626e-01 | PASS |
| intel-2022a_omp_impi | -3.215432382877935e+00 | -1.332267629550188e-13 | -3.233659295024728e-01 | PASS |