Match comparison for Energy [step 20] (match type 30238)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
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 | -3.184094654954730e+02 | 7.038392124496022e-12 | -3.184094654954746e+02 | 1.415401129634120e-11 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -318.4094654954693, precision: 0.0000000000338| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.184094654954605e+02 | 8.810729923425242e-12 | 2.606724829415752e-01 | PASS |
| foss_min_autotools: [foss2023a-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_min_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| foss_autotools: [foss2022a-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_cmake_mpi_min: [foss2023a-mpi] | -3.184094654954749e+02 | -5.627498467219993e-12 | -1.664940374917158e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -3.184094654954713e+02 | -1.989519660128281e-12 | -5.886152840616214e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -3.184094654954738e+02 | -4.490630090003833e-12 | -1.328588784024803e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.184094654954703e+02 | -9.663381206337363e-13 | -2.858988522585018e-02 | 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_mpi_min_autotools: [foss2022a-mpi] | -3.184094654954888e+02 | -1.949729266925715e-11 | -5.768429783803890e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.184094654954741e+02 | -4.831690603168681e-12 | -1.429494261292509e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.184094654954790e+02 | -9.720224625198171e-12 | -2.875806102129636e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.184094654954777e+02 | -8.355982572538778e-12 | -2.472184193058810e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.184094654954678e+02 | 1.534772309241816e-12 | 4.540746477046794e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.184094654954793e+02 | -9.947598300641403e-12 | -2.943076420308107e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.184094654954771e+02 | -7.787548383930698e-12 | -2.304008397612632e-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_ppc_autotools: [foss2022a-serial] | -3.184094654954775e+02 | -8.242295734817162e-12 | -2.438549033969575e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.184094654954632e+02 | 6.082245818106458e-12 | 1.799481011274100e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.184094654954785e+02 | -9.151790436590090e-12 | -2.707630306683458e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.184094654954773e+02 | -7.958078640513122e-12 | -2.354461136246486e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.184094654954754e+02 | -6.082245818106458e-12 | -1.799481011274100e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.184094654954777e+02 | -8.355982572538778e-12 | -2.472184193058810e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.184094654954752e+02 | -5.911715561524034e-12 | -1.749028272640246e-01 | PASS |