Match comparison for M-solvent int. energy @ t=5*dt (match type 28575)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 29-pcm_chlorine_anion.02-td_prop-n60.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.215406787112854e+00 | 2.000000000000000e+00 | -3.215406787112903e+00 | 7.131792498959320e-14 | -3.215406787112903e+00 | 1.934008508897023e-13 | PASS |
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Detailed information
Reference: -3.2154067871128538, precision: 2.0| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.215406787112903e+00 | -4.929390229335695e-14 | -2.464695114667848e-14 | PASS |
| spack_foss-2023a_serial_min | -3.215406787112903e+00 | -4.929390229335695e-14 | -2.464695114667848e-14 | PASS |
| spack_foss-2022a_serial | -3.215406787112903e+00 | -4.929390229335695e-14 | -2.464695114667848e-14 | PASS |
| spack_foss-2023a_serial | -3.215406787112903e+00 | -4.929390229335695e-14 | -2.464695114667848e-14 | PASS |
| cmake_foss_2022a_full_serial | -3.215406787112951e+00 | -9.769962616701378e-14 | -4.884981308350689e-14 | PASS |
| spack_foss-2022a_ppc | -3.215406787113096e+00 | -2.424727085781342e-13 | -1.212363542890671e-13 | PASS |
| spack_foss-2023a_mpi_min | -3.215406787112927e+00 | -7.327471962526033e-14 | -3.663735981263017e-14 | PASS |
| spack_foss-2022a_mpi_min | -3.215406787112927e+00 | -7.327471962526033e-14 | -3.663735981263017e-14 | PASS |
| cmake_foss_2022a_full_mpi | -3.215406787112879e+00 | -2.486899575160351e-14 | -1.243449787580175e-14 | PASS |
| spack_foss-2023a_serial_debug | -3.215406787112903e+00 | -4.929390229335695e-14 | -2.464695114667848e-14 | PASS |
| spack_foss-2023a_mpi_opt | -3.215406787112879e+00 | -2.486899575160351e-14 | -1.243449787580175e-14 | PASS |
| spack_foss-2022a_mpi | -3.215406787112927e+00 | -7.327471962526033e-14 | -3.663735981263017e-14 | PASS |
| spack_foss-2023a_mpi | -3.215406787112927e+00 | -7.327471962526033e-14 | -3.663735981263017e-14 | PASS |
| spack_foss-2022a_cuda_serial | -3.215406787112709e+00 | 1.443289932012704e-13 | 7.216449660063518e-14 | PASS |
| cmake_foss_2022a_min_mpi | -3.215406787112951e+00 | -9.769962616701378e-14 | -4.884981308350689e-14 | PASS |
| spack_foss-2023a_mpi_debug | -3.215406787112927e+00 | -7.327471962526033e-14 | -3.663735981263017e-14 | PASS |
| spack_foss-2023a_mpi_omp | -3.215406787112927e+00 | -7.327471962526033e-14 | -3.663735981263017e-14 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.215406787112903e+00 | -4.929390229335695e-14 | -2.464695114667848e-14 | PASS |
| cmake_foss_2022a_min_serial | -3.215406787112951e+00 | -9.769962616701378e-14 | -4.884981308350689e-14 | PASS |
| spack_foss-2023a_serial_opt | -3.215406787112951e+00 | -9.769962616701378e-14 | -4.884981308350689e-14 | PASS |
| spack_foss-2023b_serial | -3.215406787112903e+00 | -4.929390229335695e-14 | -2.464695114667848e-14 | PASS |
| spack_foss-2023a_serial_omp | -3.215406787112855e+00 | -8.881784197001252e-16 | -4.440892098500626e-16 | PASS |
| spack_intel-2023a_serial | -3.215406787112879e+00 | -2.486899575160351e-14 | -1.243449787580175e-14 | PASS |
| spack_intel-2022a_serial_omp | -3.215406787112806e+00 | 4.751754545395670e-14 | 2.375877272697835e-14 | PASS |
| spack_intel-2023a_serial_omp | -3.215406787112855e+00 | -8.881784197001252e-16 | -4.440892098500626e-16 | PASS |
| spack_intel-2023a_impi | -3.215406787112734e+00 | 1.199040866595169e-13 | 5.995204332975845e-14 | PASS |
| spack_intel-2022a_impi_omp | -3.215406787112975e+00 | -1.216804434989172e-13 | -6.084022174945858e-14 | PASS |