Match comparison for M-solvent int. energy @ t=0 (match type 12046)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Input 32-tdpcm_methane.03-td_prop_eom.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.495587625573000e-02 | 1.000000000000000e-04 | -1.501578001385483e-02 | 8.810731020793927e-14 | -1.501578001381354e-02 | 1.691797743563761e-13 | PASS |
Checks for this match
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Detailed information
Reference: -0.01495587625573, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.501578001388605e-02 | -5.990375815604666e-05 | -5.990375815604666e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.501578001398272e-02 | -5.990375825272107e-05 | -5.990375825272106e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.501578001388605e-02 | -5.990375815604666e-05 | -5.990375815604666e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.501578001383771e-02 | -5.990375810771033e-05 | -5.990375810771033e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.501578001369270e-02 | -5.990375796269785e-05 | -5.990375796269785e-01 | PASS |
| spack_foss-2022a_mpi | -1.501578001386188e-02 | -5.990375813187850e-05 | -5.990375813187849e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.501578001386188e-02 | -5.990375813187850e-05 | -5.990375813187849e-01 | PASS |
| spack_foss-2022a_serial | -1.501578001391021e-02 | -5.990375818021483e-05 | -5.990375818021483e-01 | PASS |
| spack_foss-2022a_serial_min | -1.501578001391021e-02 | -5.990375818021483e-05 | -5.990375818021483e-01 | PASS |
| spack_foss-2023a_mpi | -1.501578001386188e-02 | -5.990375813187850e-05 | -5.990375813187849e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.501578001386188e-02 | -5.990375813187850e-05 | -5.990375813187849e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.501578001369270e-02 | -5.990375796269785e-05 | -5.990375796269785e-01 | PASS |
| spack_foss-2023a_serial | -1.501578001391021e-02 | -5.990375818021483e-05 | -5.990375818021483e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.501578001398272e-02 | -5.990375825272107e-05 | -5.990375825272106e-01 | PASS |
| spack_foss-2023a_serial_min | -1.501578001391021e-02 | -5.990375818021483e-05 | -5.990375818021483e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.501578001378937e-02 | -5.990375805937226e-05 | -5.990375805937226e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.501578001388605e-02 | -5.990375815604666e-05 | -5.990375815604666e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.501578001398272e-02 | -5.990375825272107e-05 | -5.990375825272106e-01 | PASS |
| spack_foss-2023b_serial | -1.501578001391021e-02 | -5.990375818021483e-05 | -5.990375818021483e-01 | PASS |
| spack_intel-2023a_serial | -1.501578001388605e-02 | -5.990375815604666e-05 | -5.990375815604666e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.501578001376520e-02 | -5.990375803520409e-05 | -5.990375803520409e-01 | PASS |
| spack_intel-2023a_impi | -1.501578001383771e-02 | -5.990375810771033e-05 | -5.990375810771033e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.501578001376520e-02 | -5.990375803520409e-05 | -5.990375803520409e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.501578001364436e-02 | -5.990375791436152e-05 | -5.990375791436151e-01 | PASS |