Match comparison for M-solvent int. energy @ t=0 (match type 28574)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.215406787815954e+00 | 2.790000000000000e-13 | -3.215406787815839e+00 | 5.207477704583705e-14 | -3.215406787815870e+00 | 1.449951270160454e-13 | PASS |
Checks for this match
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Detailed information
Reference: -3.2154067878159545, precision: 0.000000000000279| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.215406787815870e+00 | 8.482103908136196e-14 | 3.040180612235195e-01 | PASS |
| spack_foss-2023a_serial_min | -3.215406787815870e+00 | 8.482103908136196e-14 | 3.040180612235195e-01 | PASS |
| spack_foss-2022a_serial | -3.215406787815870e+00 | 8.482103908136196e-14 | 3.040180612235195e-01 | PASS |
| spack_foss-2023a_serial | -3.215406787815870e+00 | 8.482103908136196e-14 | 3.040180612235195e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.215406787815822e+00 | 1.327826737451687e-13 | 4.759235618106405e-01 | PASS |
| spack_foss-2022a_ppc | -3.215406787816015e+00 | -6.039613253960852e-14 | -2.164735933319301e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.215406787815846e+00 | 1.088018564132653e-13 | 3.899708115170800e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.215406787815846e+00 | 1.088018564132653e-13 | 3.899708115170800e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.215406787815822e+00 | 1.327826737451687e-13 | 4.759235618106405e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.215406787815870e+00 | 8.482103908136196e-14 | 3.040180612235195e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.215406787815822e+00 | 1.327826737451687e-13 | 4.759235618106405e-01 | PASS |
| spack_foss-2022a_mpi | -3.215406787815846e+00 | 1.088018564132653e-13 | 3.899708115170800e-01 | PASS |
| spack_foss-2023a_mpi | -3.215406787815846e+00 | 1.088018564132653e-13 | 3.899708115170800e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.215406787815773e+00 | 1.811883976188255e-13 | 6.494207799957904e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.215406787815797e+00 | 1.572075802869222e-13 | 5.634680297022300e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.215406787815846e+00 | 1.088018564132653e-13 | 3.899708115170800e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.215406787815870e+00 | 8.482103908136196e-14 | 3.040180612235195e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.215406787815870e+00 | 8.482103908136196e-14 | 3.040180612235195e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.215406787815822e+00 | 1.327826737451687e-13 | 4.759235618106405e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.215406787815822e+00 | 1.327826737451687e-13 | 4.759235618106405e-01 | PASS |
| spack_foss-2023b_serial | -3.215406787815870e+00 | 8.482103908136196e-14 | 3.040180612235195e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.215406787815725e+00 | 2.295941214924824e-13 | 8.229179981809404e-01 | PASS |
| spack_intel-2023a_serial | -3.215406787815822e+00 | 1.327826737451687e-13 | 4.759235618106405e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.215406787815846e+00 | 1.088018564132653e-13 | 3.899708115170800e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.215406787815725e+00 | 2.295941214924824e-13 | 8.229179981809404e-01 | PASS |
| spack_intel-2023a_impi | -3.215406787815822e+00 | 1.327826737451687e-13 | 4.759235618106405e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.215406787815822e+00 | 1.327826737451687e-13 | 4.759235618106405e-01 | PASS |