Match comparison for Forces [step 15] (match type 22547)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
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 | -1.049280232292840e-02 | 7.459677784629025e-15 | -1.049280232292360e-02 | 1.643130076445232e-14 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -0.01049280232292293, precision: 0.00000000000002| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -1.049280232290717e-02 | 1.576169750272527e-14 | 7.880848751362635e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.049280232292560e-02 | -2.668004706052329e-15 | -1.334002353026165e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.049280232292560e-02 | -2.668004706052329e-15 | -1.334002353026165e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.049280232292693e-02 | -4.000272335602517e-15 | -2.000136167801259e-01 | PASS |
| eb_fosscuda-2022a | -1.049280232293093e-02 | -7.997075224253081e-15 | -3.998537612126540e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.049280232292538e-02 | -2.445960101127298e-15 | -1.222980050563649e-01 | PASS |
| eb_foss-2022a_debug | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| eb_foss-2022b_libxc6 | -1.049280232292316e-02 | -2.255140518769849e-16 | -1.127570259384925e-02 | PASS |
| eb_intel-2022a | -1.049280232293781e-02 | -1.488045797692905e-14 | -7.440228988464526e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.049280232292649e-02 | -3.556183125752455e-15 | -1.778091562876227e-01 | PASS |
| intel-2022b | -1.049280232293781e-02 | -1.488045797692905e-14 | -7.440228988464526e-01 | PASS |
| eb_intel-2022a_omp | -1.049280232294003e-02 | -1.710090402617936e-14 | -8.550452013089682e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.049280232292826e-02 | -5.332539965152705e-15 | -2.666269982576353e-01 | PASS |
| eb_intel-2022a_impi | -1.049280232293892e-02 | -1.599068100155421e-14 | -7.995340500777104e-01 | PASS |
| spack_foss-2022a_serial | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| spack_foss-2022a_mpi | -1.049280232292626e-02 | -3.334138520827423e-15 | -1.667069260413712e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.049280232293404e-02 | -1.110569969320352e-14 | -5.552849846601760e-01 | PASS |
| spack_foss-2022a_serial_min | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| intel-2022b_impi | -1.049280232293892e-02 | -1.599068100155421e-14 | -7.995340500777104e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| spack_foss-2022a_serial_omp | -1.049280232292538e-02 | -2.445960101127298e-15 | -1.222980050563649e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.049280232292560e-02 | -2.668004706052329e-15 | -1.334002353026165e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.049280232292671e-02 | -3.778227730677486e-15 | -1.889113865338743e-01 | PASS |
| eb_intel-2022a_omp_impi | -1.049280232293892e-02 | -1.599068100155421e-14 | -7.995340500777104e-01 | PASS |