Match comparison for M-solvent int. energy @ t=5*dt (match type 28575)
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.215406787112854e+00 | 1.060000000000000e-13 | -3.215406787112867e+00 | 5.413483478215298e-14 | -3.215406787112855e+00 | 9.681144774731365e-14 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -3.2154067871128538, precision: 0.000000000000106| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.215406787112855e+00 | -8.881784197001252e-16 | -8.379041695284200e-03 | PASS |
| spack_foss-2022a_serial_min | -3.215406787112903e+00 | -4.929390229335695e-14 | -4.650368140882731e-01 | PASS |
| spack_foss-2022a_serial | -3.215406787112903e+00 | -4.929390229335695e-14 | -4.650368140882731e-01 | PASS |
| foss-2022a_opt | -3.215406787112879e+00 | -2.486899575160351e-14 | -2.346131674679576e-01 | PASS |
| intel-2022b | -3.215406787112831e+00 | 2.309263891220326e-14 | 2.178550840773892e-01 | PASS |
| intel-2022a | -3.215406787112831e+00 | 2.309263891220326e-14 | 2.178550840773892e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.215406787112927e+00 | -7.327471962526033e-14 | -6.912709398609465e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.215406787112951e+00 | -9.769962616701378e-14 | -9.216945864812620e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.215406787112903e+00 | -4.929390229335695e-14 | -4.650368140882731e-01 | PASS |
| foss-2022a_omp | -3.215406787112782e+00 | 7.149836278586008e-14 | 6.745128564703781e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.215406787112879e+00 | -2.486899575160351e-14 | -2.346131674679576e-01 | PASS |
| intel-2022a_omp | -3.215406787112806e+00 | 4.751754545395670e-14 | 4.482787306977047e-01 | PASS |
| intel-2022b_impi | -3.215406787112806e+00 | 4.751754545395670e-14 | 4.482787306977047e-01 | PASS |
| intel-2022a_impi | -3.215406787112806e+00 | 4.751754545395670e-14 | 4.482787306977047e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.215406787112951e+00 | -9.769962616701378e-14 | -9.216945864812620e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.215406787112951e+00 | -9.769962616701378e-14 | -9.216945864812620e-01 | PASS |
| foss-2022a_mpi_omp | -3.215406787112831e+00 | 2.309263891220326e-14 | 2.178550840773892e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.215406787112831e+00 | 2.309263891220326e-14 | 2.178550840773892e-01 | PASS |
| eb_foss-2022a | -3.215406787112927e+00 | -7.327471962526033e-14 | -6.912709398609465e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.215406787112903e+00 | -4.929390229335695e-14 | -4.650368140882731e-01 | PASS |
| eb_foss-2022a_debug | -3.215406787112927e+00 | -7.327471962526033e-14 | -6.912709398609465e-01 | PASS |
| intel-2022a_omp_impi | -3.215406787112879e+00 | -2.486899575160351e-14 | -2.346131674679576e-01 | PASS |
| eb_foss-2022a_mpi | -3.215406787112831e+00 | 2.309263891220326e-14 | 2.178550840773892e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.215406787112879e+00 | -2.486899575160351e-14 | -2.346131674679576e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.215406787112831e+00 | 2.309263891220326e-14 | 2.178550840773892e-01 | PASS |
| eb_fosscuda-2022a | -3.215406787112758e+00 | 9.592326932761353e-14 | 9.049365030906936e-01 | PASS |