Match comparison for Energy [step 20] (match type 30238)
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
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 | -3.184094654954717e+02 | 6.516056351285408e-12 | -3.184094654954741e+02 | 1.472244548494928e-11 | FAIL |
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Detailed information
Reference: -318.4094654954693, precision: 0.0000000000133| Run | Value | Difference | Relative difference | Status |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.184094654954775e+02 | -8.242295734817162e-12 | -6.197214838208392e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| spack_foss-2022a_ppc | -3.184094654954775e+02 | -8.242295734817162e-12 | -6.197214838208392e-01 | PASS |
| spack_foss-2023a_serial_opt | -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 | -3.184094654954686e+02 | 7.389644451905042e-13 | 5.556123648048904e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.184094654954696e+02 | -2.842170943040401e-13 | -2.136970633864963e-02 | PASS |
| spack_foss-2022a_mpi | -3.184094654954631e+02 | 6.252776074688882e-12 | 4.701335394502918e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.184094654954704e+02 | -1.080024958355352e-12 | -8.120488408686859e-02 | PASS |
| spack_foss-2022a_serial | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2022a_serial_min | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_serial | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.184094654954704e+02 | -1.080024958355352e-12 | -8.120488408686859e-02 | PASS |
| spack_foss-2023a_mpi | -3.184094654954782e+02 | -8.867573342286050e-12 | -6.667348377658684e-01 | PASS |
| spack_foss-2023a_serial_min | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.184094654954594e+02 | 9.947598300641403e-12 | 7.479397218527370e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_serial_debug | -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-2023a_serial_omp | -3.184094654954627e+02 | 6.593836587853730e-12 | 4.957771870566714e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.184094654954627e+02 | 6.593836587853730e-12 | 4.957771870566714e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.184094654954680e+02 | 1.307398633798584e-12 | 9.830064915778830e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.184094654954766e+02 | -7.332801033044234e-12 | -5.513384235371604e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.184094654954747e+02 | -5.400124791776761e-12 | -4.060244204343429e-01 | PASS |
| spack_intel-2023a_serial | -3.184094654954738e+02 | -4.490630090003833e-12 | -3.376413601506641e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.184094654954774e+02 | -8.128608897095546e-12 | -6.111736012853793e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.184094654954738e+02 | -4.490630090003833e-12 | -3.376413601506641e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.184094654954766e+02 | -7.332801033044234e-12 | -5.513384235371604e-01 | PASS |
| spack_intel-2023a_impi | -3.184094654954721e+02 | -2.785327524179593e-12 | -2.094231221187664e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.184094654954678e+02 | 1.534772309241816e-12 | 1.153964142287080e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -7.265700155140874e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.184094654954605e+02 | 8.810729923425242e-12 | 6.624608964981386e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.184094654954704e+02 | -1.080024958355352e-12 | -8.120488408686859e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.184094654954757e+02 | -6.423306331271306e-12 | -4.829553632534816e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -1.465961854831365e+00 | FAIL |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -1.465961854831365e+00 | FAIL |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.184094654954783e+02 | -9.038103598868474e-12 | -6.795566615690583e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.184094654954777e+02 | -8.412825991399586e-12 | -6.325433076240290e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -3.184094654954740e+02 | -4.718003765447065e-12 | -3.547371252215838e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.184094654954770e+02 | -7.730704965069890e-12 | -5.812560124112699e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.184094654954786e+02 | -9.265477274311706e-12 | -6.966524266399780e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.184094654954753e+02 | -5.968558980384842e-12 | -4.487638331116422e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -3.184094654954757e+02 | -6.423306331271306e-12 | -4.829553632534816e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.184094654954678e+02 | 1.534772309241816e-12 | 1.153964142287080e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.184094654954781e+02 | -8.810729923425242e-12 | -6.624608964981386e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.184094654954744e+02 | -5.115907697472721e-12 | -3.846547140956934e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184094654954787e+02 | -9.379164112033322e-12 | -7.052003091754377e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.184094654954773e+02 | -7.958078640513122e-12 | -5.983517774821896e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.184094654954773e+02 | -7.958078640513122e-12 | -5.983517774821896e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.184094654954769e+02 | -7.560174708487466e-12 | -5.684341886080801e-01 | PASS |