Match comparison for Forces [step 15] (match type 22547)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.049280232292293e-02 | 2.000000000000000e-14 | -1.049280232292699e-02 | 6.785254269843550e-15 | -1.049280232292416e-02 | 1.609823385706477e-14 | PASS |
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Detailed information
Reference: -0.01049280232292293, precision: 0.00000000000002| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.049280232292493e-02 | -2.001870891277235e-15 | -1.000935445638618e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.049280232292493e-02 | -2.001870891277235e-15 | -1.000935445638618e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.049280232293937e-02 | -1.643477021140427e-14 | -8.217385105702135e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.049280232292493e-02 | -2.001870891277235e-15 | -1.000935445638618e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.049280232292538e-02 | -2.445960101127298e-15 | -1.222980050563649e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.049280232292515e-02 | -2.223915496202267e-15 | -1.111957748101133e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -1.049280232292626e-02 | -3.334138520827423e-15 | -1.667069260413712e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.049280232292538e-02 | -2.445960101127298e-15 | -1.222980050563649e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.049280232294025e-02 | -1.732294863110440e-14 | -8.661474315552198e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -1.049280232292626e-02 | -3.334138520827423e-15 | -1.667069260413712e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.049280232294025e-02 | -1.732294863110440e-14 | -8.661474315552198e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.049280232290806e-02 | 1.487351908302514e-14 | 7.436759541512572e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.049280232292471e-02 | -1.779826286352204e-15 | -8.899131431761020e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.049280232293803e-02 | -1.510250258185408e-14 | -7.551251290927041e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.049280232293115e-02 | -8.219119829178112e-15 | -4.109559914589056e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.049280232293381e-02 | -1.088365508827849e-14 | -5.441827544139244e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.049280232293781e-02 | -1.488045797692905e-14 | -7.440228988464526e-01 | PASS |