Match comparison for Energy [step 20] (match type 30238)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184094654954693e+02 | 1.330000000000000e-11 | -3.184094654954708e+02 | 5.213206924673419e-12 | -3.184094654954705e+02 | 1.000444171950221e-11 | PASS |
Checks for this match
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Detailed information
Reference: -318.4094654954693, precision: 0.0000000000133| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| spack_foss-2023a_serial | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_serial_min | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023b_serial | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2022a_serial | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.184094654954704e+02 | -1.080024958355352e-12 | -8.120488408686859e-02 | PASS |
| spack_foss-2022a_ppc | -3.184094654954775e+02 | -8.242295734817162e-12 | -6.197214838208392e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.184094654954704e+02 | -1.080024958355352e-12 | -8.120488408686859e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.184094654954627e+02 | 6.593836587853730e-12 | 4.957771870566714e-01 | PASS |
| spack_foss-2022a_mpi | -3.184094654954729e+02 | -3.581135388230905e-12 | -2.692582998669854e-01 | PASS |
| spack_foss-2023a_mpi | -3.184094654954739e+02 | -4.604316927725449e-12 | -3.461892426861240e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.184094654954750e+02 | -5.684341886080801e-12 | -4.273941267729926e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.184094654954755e+02 | -6.195932655828074e-12 | -4.658595981825619e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.184094654954668e+02 | 2.501110429875553e-12 | 1.880534157801168e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.184094654954805e+02 | -1.119815351557918e-11 | -8.419664297427953e-01 | PASS |
| spack_intel-2023a_serial | -3.184094654954738e+02 | -4.490630090003833e-12 | -3.376413601506641e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184094654954761e+02 | -6.764366844436154e-12 | -5.085990108598611e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.184094654954766e+02 | -7.332801033044234e-12 | -5.513384235371604e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184094654954678e+02 | 1.534772309241816e-12 | 1.153964142287080e-01 | PASS |
| spack_intel-2023a_impi | -3.184094654954735e+02 | -4.149569576838985e-12 | -3.119977125442846e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.184094654954710e+02 | -1.648459146963432e-12 | -1.239442967641678e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184094654954677e+02 | 1.591615728102624e-12 | 1.196703554964379e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184094654954773e+02 | -7.958078640513122e-12 | -5.983517774821896e-01 | PASS |