Match comparison for Energy [step 20] (match type 12072)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184088237668212e+02 | 1.100000000000000e-10 | -3.184088237668842e+02 | 5.714915675086011e-11 | -3.184088237668217e+02 | 8.856204658513889e-11 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -318.40882376682123, precision: 0.00000000011| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -3.184088237669082e+02 | -8.697043085703626e-11 | -7.906402805185115e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184088237669063e+02 | -8.509459803462960e-11 | -7.735872548602691e-01 | PASS |
| eb_fosscuda-2022a | -3.184088237669058e+02 | -8.458300726488233e-11 | -7.689364296807485e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184088237669044e+02 | -8.321876521222293e-11 | -7.565342292020267e-01 | PASS |
| eb_foss-2022a_debug | -3.184088237669017e+02 | -8.049028110690415e-11 | -7.317298282445832e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.184088237669022e+02 | -8.100187187665142e-11 | -7.363806534241039e-01 | PASS |
| eb_intel-2022a | -3.184088237669037e+02 | -8.242295734817162e-11 | -7.492996122561056e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.184088237669017e+02 | -8.049028110690415e-11 | -7.317298282445832e-01 | PASS |
| intel-2022b | -3.184088237669037e+02 | -8.242295734817162e-11 | -7.492996122561056e-01 | PASS |
| eb_intel-2022a_omp | -3.184088237669050e+02 | -8.373035598197021e-11 | -7.611850543815474e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.184088237669102e+02 | -8.901679393602535e-11 | -8.092435812365941e-01 | PASS |
| eb_intel-2022a_impi | -3.184088237669089e+02 | -8.770939530222677e-11 | -7.973581391111525e-01 | PASS |
| spack_foss-2022a_serial | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2022a_mpi | -3.184088237669081e+02 | -8.685674401931465e-11 | -7.896067638119514e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184088237669059e+02 | -8.469669410260394e-11 | -7.699699463873086e-01 | PASS |
| spack_foss-2022a_serial_min | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| intel-2022b_impi | -3.184088237669038e+02 | -8.253664418589324e-11 | -7.503331289626658e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.184088237667331e+02 | 8.810729923425242e-11 | 8.009754475841130e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.184088237669064e+02 | -8.515144145349041e-11 | -7.741040132135492e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.184088237669067e+02 | -8.543565854779445e-11 | -7.766878049799496e-01 | PASS |
| spack_foss-2022a_mpi_omp | -3.184088237669074e+02 | -8.617462299298495e-11 | -7.834056635725904e-01 | PASS |
| eb_intel-2022a_omp_impi | -3.184088237669083e+02 | -8.708411769475788e-11 | -7.916737972250717e-01 | PASS |