Match comparison for Benzene Energy [step 20] (match type 20284)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565212577614e+01 | 5.100000000000000e-08 | -3.744565212577481e+01 | 7.037004231707811e-14 | -3.744565212577481e+01 | 1.705302565824240e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -37.445652125776135, precision: 0.000000051| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -3.744565212577486e+01 | 1.278976924368180e-12 | 2.507797890918001e-05 | PASS |
| cmake_foss_2022a_full_serial | -3.744565212577480e+01 | 1.335820343228988e-12 | 2.619255574958801e-05 | PASS |
| cmake_foss_2022a_min_serial | -3.744565212577480e+01 | 1.335820343228988e-12 | 2.619255574958801e-05 | PASS |
| cmake_foss_2022a_full_mpi | -3.744565212577479e+01 | 1.350031197944190e-12 | 2.647119995969001e-05 | PASS |
| eb_fosscuda-2022a | -3.744565212577466e+01 | 1.477928890381008e-12 | 2.897899785060801e-05 | PASS |
| cmake_foss_2022a_min_mpi | -3.744565212577480e+01 | 1.335820343228988e-12 | 2.619255574958801e-05 | PASS |
| eb_foss-2022a_debug | -3.744565212577479e+01 | 1.350031197944190e-12 | 2.647119995969001e-05 | PASS |
| eb_foss-2022b_libxc6 | -3.744565212577479e+01 | 1.350031197944190e-12 | 2.647119995969001e-05 | PASS |
| eb_intel-2022a | -3.744565212577487e+01 | 1.264766069652978e-12 | 2.479933469907801e-05 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744565212577481e+01 | 1.321609488513786e-12 | 2.591391153948601e-05 | PASS |
| intel-2022b | -3.744565212577487e+01 | 1.264766069652978e-12 | 2.479933469907801e-05 | PASS |
| eb_intel-2022a_omp | -3.744565212577498e+01 | 1.151079231931362e-12 | 2.257018101826201e-05 | PASS |
| eb_foss-2022a_mpi_debug | -3.744565212577481e+01 | 1.328714915871387e-12 | 2.605323364453701e-05 | PASS |
| eb_intel-2022a_impi | -3.744565212577483e+01 | 1.307398633798584e-12 | 2.563526732938401e-05 | PASS |
| spack_foss-2022a_serial | -3.744565212577480e+01 | 1.335820343228988e-12 | 2.619255574958801e-05 | PASS |
| spack_foss-2022a_mpi | -3.744565212577479e+01 | 1.350031197944190e-12 | 2.647119995969001e-05 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744565212577464e+01 | 1.492139745096210e-12 | 2.925764206071001e-05 | PASS |
| spack_foss-2022a_serial_min | -3.744565212577480e+01 | 1.335820343228988e-12 | 2.619255574958801e-05 | PASS |
| intel-2022b_impi | -3.744565212577483e+01 | 1.307398633798584e-12 | 2.563526732938401e-05 | PASS |
| spack_foss-2022a_serial_debug | -3.744565212577480e+01 | 1.335820343228988e-12 | 2.619255574958801e-05 | PASS |
| spack_foss-2022a_serial_omp | -3.744565212577476e+01 | 1.371347480016993e-12 | 2.688916627484301e-05 | PASS |
| spack_foss-2022a_serial_opt | -3.744565212577480e+01 | 1.335820343228988e-12 | 2.619255574958801e-05 | PASS |
| spack_foss-2022a_mpi_omp | -3.744565212577470e+01 | 1.435296326235402e-12 | 2.814306522030201e-05 | PASS |
| eb_intel-2022a_omp_impi | -3.744565212577491e+01 | 1.222133505507372e-12 | 2.396340206877200e-05 | PASS |