Match comparison for Energy [step 20] (match type 30238)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 14-fullerene_unpacked.02-td-unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.184094654954693e+02 | 3.380000000000000e-11 | -3.184094654954721e+02 | 6.848700243363789e-12 | -3.184094654954746e+02 | 1.415401129634120e-11 | PASS |
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Detailed information
Reference: -318.4094654954693, precision: 0.0000000000338| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.184094654954605e+02 | 8.810729923425242e-12 | 2.606724829415752e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.184094654954605e+02 | 8.810729923425242e-12 | 2.606724829415752e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.184094654954738e+02 | -4.490630090003833e-12 | -1.328588784024803e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.184094654954605e+02 | 8.810729923425242e-12 | 2.606724829415752e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -5.768429783803890e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.184094654954627e+02 | 6.593836587853730e-12 | 1.950839227175659e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -3.184094654954752e+02 | -5.854872142663226e-12 | -1.732210693095629e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.184094654954712e+02 | -1.875832822406664e-12 | -5.549801249723859e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -5.768429783803890e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.184094654954785e+02 | -9.208633855450898e-12 | -2.724447886228076e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.184094654954756e+02 | -6.309619493549690e-12 | -1.866751329452571e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.184094654954766e+02 | -7.332801033044234e-12 | -2.169467761255690e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -3.184094654954765e+02 | -7.219114195322618e-12 | -2.135832602166455e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.184094654954656e+02 | 3.694822225952521e-12 | 1.093142670400154e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.184094654954678e+02 | 1.534772309241816e-12 | 4.540746477046794e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.184094654954696e+02 | -2.842170943040401e-13 | -8.408789772308878e-03 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.184094654954775e+02 | -8.242295734817162e-12 | -2.438549033969575e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.184094654954638e+02 | 5.513811629498377e-12 | 1.631305215827922e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.184094654954745e+02 | -5.229594535194337e-12 | -1.547217318104833e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184094654954733e+02 | -4.035882739117369e-12 | -1.194048147667861e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.184094654954773e+02 | -7.958078640513122e-12 | -2.354461136246486e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.184094654954765e+02 | -7.219114195322618e-12 | -2.135832602166455e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.184094654954748e+02 | -5.456968210637569e-12 | -1.614487636283304e-01 | PASS |