Match comparison for M-solvent int. energy @ t=5*dt (match type 25482)
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.215432384511066e+00 | 2.800000000000000e-13 | -3.215432384511167e+00 | 9.588724357481649e-14 | -3.215432384511054e+00 | 2.173816682216057e-13 | PASS |
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Detailed information
Reference: -3.215432384511066, precision: 0.00000000000028| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.215432384511199e+00 | -1.327826737451687e-13 | -4.742238348041740e-01 | PASS |
| foss-2022a_ppc | -3.215432384510836e+00 | 2.295941214924824e-13 | 8.199790053302941e-01 | PASS |
| spack_foss-2022a_serial_min | -3.215432384511030e+00 | 3.641531520770513e-14 | 1.300546971703755e-01 | PASS |
| spack_foss-2022a_serial | -3.215432384511030e+00 | 3.641531520770513e-14 | 1.300546971703755e-01 | PASS |
| foss-2022a_opt | -3.215432384511078e+00 | -1.199040866595169e-14 | -4.282288809268461e-02 | PASS |
| intel-2022b | -3.215432384511175e+00 | -1.088018564132653e-13 | -3.885780586188048e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.215432384511271e+00 | -2.051692149507289e-13 | -7.327471962526033e-01 | PASS |
| intel-2022a | -3.215432384511175e+00 | -1.088018564132653e-13 | -3.885780586188048e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.215432384511150e+00 | -8.437694987151190e-14 | -3.013462495411139e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.215432384511271e+00 | -2.051692149507289e-13 | -7.327471962526033e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.215432384511030e+00 | 3.641531520770513e-14 | 1.300546971703755e-01 | PASS |
| foss-2022a_omp | -3.215432384511199e+00 | -1.327826737451687e-13 | -4.742238348041740e-01 | PASS |
| intel-2022a_omp | -3.215432384511175e+00 | -1.088018564132653e-13 | -3.885780586188048e-01 | PASS |
| intel-2022b_impi | -3.215432384511223e+00 | -1.567634910770721e-13 | -5.598696109895432e-01 | PASS |
| intel-2022a_impi | -3.215432384511223e+00 | -1.567634910770721e-13 | -5.598696109895432e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.215432384511199e+00 | -1.327826737451687e-13 | -4.742238348041740e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.215432384511223e+00 | -1.567634910770721e-13 | -5.598696109895432e-01 | PASS |
| eb_fosscuda-2022a | -3.215432384511247e+00 | -1.811883976188255e-13 | -6.471014200672340e-01 | PASS |
| foss-2022a_mpi_omp | -3.215432384511247e+00 | -1.811883976188255e-13 | -6.471014200672340e-01 | PASS |
| eb_foss-2022a | -3.215432384511247e+00 | -1.811883976188255e-13 | -6.471014200672340e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.215432384511150e+00 | -8.437694987151190e-14 | -3.013462495411139e-01 | PASS |
| eb_foss-2022a_debug | -3.215432384511247e+00 | -1.811883976188255e-13 | -6.471014200672340e-01 | PASS |
| intel-2022a_omp_impi | -3.215432384511223e+00 | -1.567634910770721e-13 | -5.598696109895432e-01 | PASS |
| eb_foss-2022a_mpi | -3.215432384511150e+00 | -8.437694987151190e-14 | -3.013462495411139e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.215432384511199e+00 | -1.327826737451687e-13 | -4.742238348041740e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.215432384511150e+00 | -8.437694987151190e-14 | -3.013462495411139e-01 | PASS |