Match comparison for Forces [step 15] (match type 22547)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
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 | -1.049280232292739e-02 | 7.181839326777971e-15 | -1.049280232292416e-02 | 1.609823385706477e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.01049280232292293, precision: 0.00000000000002| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| spack_foss-2023a_serial_opt | -1.049280232292493e-02 | -2.001870891277235e-15 | -1.000935445638618e-01 | PASS |
| spack_foss-2023a_serial | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| spack_foss-2023a_serial_min | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| spack_foss-2023b_serial | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| spack_foss-2022a_serial | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| spack_foss-2022a_mpi_min | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| spack_foss-2022a_ppc | -1.049280232290806e-02 | 1.487351908302514e-14 | 7.436759541512572e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.049280232292515e-02 | -2.223915496202267e-15 | -1.111957748101133e-01 | PASS |
| spack_foss-2022a_mpi | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| spack_foss-2023a_mpi | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.049280232292182e-02 | 1.106753577673203e-15 | 5.533767888366015e-02 | PASS |
| spack_foss-2023a_mpi_debug | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.049280232292471e-02 | -1.779826286352204e-15 | -8.899131431761020e-02 | PASS |
| cmake_foss_2022a_full_serial | -1.049280232292493e-02 | -2.001870891277235e-15 | -1.000935445638618e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.049280232292493e-02 | -2.001870891277235e-15 | -1.000935445638618e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.049280232292626e-02 | -3.334138520827423e-15 | -1.667069260413712e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| spack_intel-2023a_serial | -1.049280232293937e-02 | -1.643477021140427e-14 | -8.217385105702135e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.049280232294003e-02 | -1.710090402617936e-14 | -8.550452013089682e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.049280232294025e-02 | -1.732294863110440e-14 | -8.661474315552198e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.049280232294025e-02 | -1.732294863110440e-14 | -8.661474315552198e-01 | PASS |
| spack_intel-2023a_impi | -1.049280232293781e-02 | -1.488045797692905e-14 | -7.440228988464526e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.049280232293381e-02 | -1.088365508827849e-14 | -5.441827544139244e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.049280232293115e-02 | -8.219119829178112e-15 | -4.109559914589056e-01 | PASS |