Match comparison for molecule-solvent int. energy (match type 12041)
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Input 32-tdpcm_methane.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.501578000000000e-02 | 7.510000000000000e-08 | -1.501578000000000e-02 | 1.734723475976807e-18 | -1.501578000000000e-02 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -0.015015780000000001, precision: 0.0000000751| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| foss-2022a_ppc | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| spack_foss-2022a_serial_min | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| spack_foss-2022a_serial | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| foss-2022a_opt | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| cmake_foss_2022a_min_mpi | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| intel-2022b | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| intel-2022a | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| spack_foss-2022a_serial_omp | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| cmake_foss_2022a_full_mpi | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| spack_foss-2022a_serial_debug | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| foss-2022a_omp | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| eb_fosscuda-2022a | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| intel-2022a_omp | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| intel-2022b_impi | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| intel-2022a_impi | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| cmake_foss_2022a_min_serial | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| foss-2022a_mpi_omp | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| eb_foss-2022a | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| eb_foss-2022b_libxc6 | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| eb_foss-2022a_debug | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| eb_foss-2022a_mpi | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| intel-2022a_omp_impi | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| eb_foss-2022a_mpi_debug | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.501578000000000e-02 | 1.734723475976807e-18 | 2.309884788251407e-11 | PASS |