Match comparison for Forces [step 5] (match type 22545)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.618874990413800e-03 | 2.500000000000000e-14 | -7.618874990417922e-03 | 5.758544352509840e-15 | -7.618874990417135e-03 | 1.132427485117660e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.0076188749904138, precision: 0.000000000000025| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -7.618874990405811e-03 | 7.989268968611185e-15 | 3.195707587444474e-01 | PASS |
| cmake_foss_2022a_full_serial | -7.618874990413804e-03 | -4.336808689942018e-18 | -1.734723475976807e-04 | PASS |
| cmake_foss_2022a_min_serial | -7.618874990413804e-03 | -4.336808689942018e-18 | -1.734723475976807e-04 | PASS |
| cmake_foss_2022a_full_mpi | -7.618874990417579e-03 | -3.779095092415474e-15 | -1.511638036966190e-01 | PASS |
| eb_fosscuda-2022a | -7.618874990423796e-03 | -9.996344030316351e-15 | -3.998537612126540e-01 | PASS |
| cmake_foss_2022a_min_mpi | -7.618874990417357e-03 | -3.557050487490443e-15 | -1.422820194996177e-01 | PASS |
| eb_foss-2022a_debug | -7.618874990411140e-03 | 2.660198450410434e-15 | 1.064079380164173e-01 | PASS |
| eb_foss-2022b_libxc6 | -7.618874990411584e-03 | 2.216109240560371e-15 | 8.864436962241484e-02 | PASS |
| eb_intel-2022a | -7.618874990423130e-03 | -9.330210215541257e-15 | -3.732084086216503e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -7.618874990418467e-03 | -4.667273512115599e-15 | -1.866909404846240e-01 | PASS |
| intel-2022b | -7.618874990423130e-03 | -9.330210215541257e-15 | -3.732084086216503e-01 | PASS |
| eb_intel-2022a_omp | -7.618874990422908e-03 | -9.108165610616226e-15 | -3.643266244246490e-01 | PASS |
| eb_foss-2022a_mpi_debug | -7.618874990416691e-03 | -2.890916672715349e-15 | -1.156366669086140e-01 | PASS |
| eb_intel-2022a_impi | -7.618874990425129e-03 | -1.132861165986654e-14 | -4.531444663946615e-01 | PASS |
| spack_foss-2022a_serial | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_foss-2022a_mpi | -7.618874990419355e-03 | -5.555451931815725e-15 | -2.222180772726290e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -7.618874990427349e-03 | -1.354905770911685e-14 | -5.419623083646741e-01 | PASS |
| spack_foss-2022a_serial_min | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| intel-2022b_impi | -7.618874990425129e-03 | -1.132861165986654e-14 | -4.531444663946615e-01 | PASS |
| spack_foss-2022a_serial_debug | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_foss-2022a_serial_omp | -7.618874990413360e-03 | 4.397524011601206e-16 | 1.759009604640482e-02 | PASS |
| spack_foss-2022a_serial_opt | -7.618874990413804e-03 | -4.336808689942018e-18 | -1.734723475976807e-04 | PASS |
| spack_foss-2022a_mpi_omp | -7.618874990418911e-03 | -5.111362721965662e-15 | -2.044545088786265e-01 | PASS |
| eb_intel-2022a_omp_impi | -7.618874990428459e-03 | -1.465928073374201e-14 | -5.863712293496803e-01 | PASS |