Match comparison for Forces [step 1] (match type 22544)
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.422367890290800e-02 | 1.860000000000000e-14 | -1.422367890291344e-02 | 4.314945088483133e-15 | -1.422367890291465e-02 | 7.327471962526033e-15 | PASS |
Checks for this match
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Detailed information
Reference: -0.014223678902908, precision: 0.0000000000000186| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a | -1.422367890290954e-02 | -1.542169170143382e-15 | -8.291232097545062e-02 | PASS |
| eb_fosscuda-2022a | -1.422367890291887e-02 | -1.086804257699470e-14 | -5.843033643545535e-01 | PASS |
| intel-2022a_omp | -1.422367890291909e-02 | -1.109008718191973e-14 | -5.962412463397703e-01 | PASS |
| eb_foss-2022a_debug | -1.422367890290954e-02 | -1.542169170143382e-15 | -8.291232097545062e-02 | PASS |
| intel-2022b_impi | -1.422367890292020e-02 | -1.220031020654488e-14 | -6.559306562658540e-01 | PASS |
| intel-2022a_impi | -1.422367890292020e-02 | -1.220031020654488e-14 | -6.559306562658540e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.422367890292198e-02 | -1.397666704594513e-14 | -7.514337121475878e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.422367890290954e-02 | -1.542169170143382e-15 | -8.291232097545062e-02 | PASS |
| eb_foss-2022a_mpi | -1.422367890291198e-02 | -3.984659824318726e-15 | -2.142290228128347e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.422367890291221e-02 | -4.206704429243757e-15 | -2.261669047980515e-01 | PASS |
| intel-2022a_omp_impi | -1.422367890292020e-02 | -1.220031020654488e-14 | -6.559306562658540e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.422367890291198e-02 | -3.984659824318726e-15 | -2.142290228128347e-01 | PASS |
| foss-2022a_mpi_omp | -1.422367890290732e-02 | 6.782768791069316e-16 | 3.646649887671675e-02 | PASS |
| cmake_foss_2022a_full_serial | -1.422367890290999e-02 | -1.986258379993444e-15 | -1.067880849458841e-01 | PASS |
| foss-2022a_ppc | -1.422367890290799e-02 | 1.214306433183765e-17 | 6.528529210665403e-04 | PASS |
| spack_foss-2022a_serial_min | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.903532588424012e-01 | PASS |
| spack_foss-2022a_serial | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.903532588424012e-01 | PASS |
| foss-2022a_opt | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.903532588424012e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.422367890291332e-02 | -5.316927453868914e-15 | -2.858563147241351e-01 | PASS |
| intel-2022b | -1.422367890291776e-02 | -9.757819552369540e-15 | -5.246139544284698e-01 | PASS |
| intel-2022a | -1.422367890291776e-02 | -9.757819552369540e-15 | -5.246139544284698e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.422367890291132e-02 | -3.318526009543632e-15 | -1.784153768571845e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.422367890291265e-02 | -4.650793639093820e-15 | -2.500426687684849e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.903532588424012e-01 | PASS |
| foss-2022a_omp | -1.422367890290976e-02 | -1.764213775068413e-15 | -9.485020296066735e-02 | PASS |
| cmake_foss_2022a_min_serial | -1.422367890290999e-02 | -1.986258379993444e-15 | -1.067880849458841e-01 | PASS |