Match comparison for Energy [step 20] (match type 30238)
Commits >
Commit 7340c9717a63bb8691685536ab6dd281015dc066 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184094654954693e+02 | 5.150000000000000e-11 | -3.184094654954719e+02 | 7.781523677517055e-12 | -3.184094654954719e+02 | 1.693933882052079e-11 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -318.4094654954693, precision: 0.0000000000515| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.184094654954549e+02 | 1.438138497178443e-11 | 2.792501936268821e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.184094654954549e+02 | 1.438138497178443e-11 | 2.792501936268821e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.184094654954662e+02 | 3.126388037344441e-12 | 6.070656383193088e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.184094654954806e+02 | -1.131184035330079e-11 | -2.196473855009863e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.184094654954605e+02 | 8.810729923425242e-12 | 1.710821344354416e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -1.876384700259682e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -1.876384700259682e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.184094654954605e+02 | 8.810729923425242e-12 | 1.710821344354416e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -1.876384700259682e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -1.876384700259682e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.184094654954605e+02 | 8.810729923425242e-12 | 1.710821344354416e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -1.876384700259682e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -1.876384700259682e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -3.184094654954738e+02 | -4.490630090003833e-12 | -8.719670077677345e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -3.785882071700417e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -3.785882071700417e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.184094654954627e+02 | 6.593836587853730e-12 | 1.280356619000724e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.184094654954691e+02 | 1.705302565824240e-13 | 3.311267118105321e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.184094654954743e+02 | -4.945377440890297e-12 | -9.602674642505431e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.184094654954766e+02 | -7.332801033044234e-12 | -1.423844860785288e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.184094654954749e+02 | -5.627498467219993e-12 | -1.092718148974756e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.184094654954678e+02 | 1.534772309241816e-12 | 2.980140406294789e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -1.876384700259682e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.184094654954724e+02 | -3.069544618483633e-12 | -5.960280812589578e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.184094654954762e+02 | -6.878053682157770e-12 | -1.335544404302479e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.184094654954775e+02 | -8.242295734817162e-12 | -1.600445773750905e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.184094654954747e+02 | -5.400124791776761e-12 | -1.048567920733352e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.184094654954758e+02 | -6.536993168992922e-12 | -1.269319061940373e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.184094654954791e+02 | -9.833911462919787e-12 | -1.909497371440735e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.184094654954761e+02 | -6.764366844436154e-12 | -1.313469290181777e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.184094654954787e+02 | -9.379164112033322e-12 | -1.821196914957927e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184094654954754e+02 | -6.082245818106458e-12 | -1.181018605457565e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.184094654954773e+02 | -7.958078640513122e-12 | -1.545257988449150e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.184094654954755e+02 | -6.195932655828074e-12 | -1.203093719578267e-01 | PASS |