Match comparison for Forces [step 1] (match type 22544)
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.422367890292098e-02 | 3.190000000000000e-14 | -1.422367890291435e-02 | 1.062724845482420e-14 | -1.422367890292631e-02 | 2.364775042451583e-14 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.014223678902920981, precision: 0.0000000000000319| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.422367890291532e-02 | 5.665606872540252e-15 | 1.776052311141145e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.422367890291532e-02 | 5.665606872540252e-15 | 1.776052311141145e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -1.422367890293930e-02 | -1.831521045936313e-14 | -5.741445285066812e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.422367890291065e-02 | 1.032854357596591e-14 | 3.237787954848247e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.422367890290666e-02 | 1.432534646461647e-14 | 4.490704220882907e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.422367890290999e-02 | 1.099467739074100e-14 | 3.446607332520690e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.422367890290999e-02 | 1.099467739074100e-14 | 3.446607332520690e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.422367890290266e-02 | 1.832214935326704e-14 | 5.743620486917566e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.422367890290266e-02 | 1.832214935326704e-14 | 5.743620486917566e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.422367890290999e-02 | 1.099467739074100e-14 | 3.446607332520690e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.422367890290999e-02 | 1.099467739074100e-14 | 3.446607332520690e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.422367890290999e-02 | 1.099467739074100e-14 | 3.446607332520690e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.422367890290999e-02 | 1.099467739074100e-14 | 3.446607332520690e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.422367890291176e-02 | 9.218320551340753e-15 | 2.889755658727509e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.422367890291176e-02 | 9.218320551340753e-15 | 2.889755658727509e-01 | PASS |
| intel-serial: [intel2023a-serial] | -1.422367890290466e-02 | 1.632374790894175e-14 | 5.117162353900236e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.422367890291176e-02 | 9.218320551340753e-15 | 2.889755658727509e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.422367890290599e-02 | 1.499148027939157e-14 | 4.699523598555350e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.422367890291287e-02 | 8.108097526715596e-15 | 2.541723362606770e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.422367890291421e-02 | 6.775829897165409e-15 | 2.124084607261884e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.422367890291421e-02 | 6.775829897165409e-15 | 2.124084607261884e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.422367890291776e-02 | 3.223116218364908e-15 | 1.010381259675520e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.422367890291421e-02 | 6.775829897165409e-15 | 2.124084607261884e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.422367890291221e-02 | 8.774231341490690e-15 | 2.750542740279213e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.422367890291776e-02 | 3.223116218364908e-15 | 1.010381259675520e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.422367890291376e-02 | 7.219919107015471e-15 | 2.263297525710179e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.422367890291221e-02 | 8.774231341490690e-15 | 2.750542740279213e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.422367890291376e-02 | 7.219919107015471e-15 | 2.263297525710179e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.422367890291709e-02 | 3.889250033140002e-15 | 1.219200637347963e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.422367890290555e-02 | 1.543556948924163e-14 | 4.838736517003646e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.422367890294995e-02 | -2.897335149576463e-14 | -9.082555327825903e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.422367890294529e-02 | -2.431041479233897e-14 | -7.620819684118800e-01 | PASS |