Match comparison for Energy [step 20] (match type 30238)

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > 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 -3.184094654954728e+02 7.266455301626887e-12 -3.184094654954744e+02 1.446665010007564e-11 PASS

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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_cmake: [foss2022a-serial, foss-full] -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_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_opt_autotools: [foss2023a-serial] -3.184094654954605e+02 8.810729923425242e-12 2.606724829415752e-01 PASS
foss_autotools: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_autotools: [foss2023b-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
intel_autotools: [intel2023a-serial] -3.184094654954738e+02 -4.490630090003833e-12 -1.328588784024803e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184094654954717e+02 -2.444267011014745e-12 -7.231559204185635e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184094654954758e+02 -6.480149750132114e-12 -1.917204068086424e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -5.768429783803890e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -5.768429783803890e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184094654954782e+02 -8.924416761146858e-12 -2.640359988504988e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184094654954599e+02 9.436007530894130e-12 2.791718204406547e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184094654954748e+02 -5.456968210637569e-12 -1.614487636283304e-01 PASS
foss_omp_autotools: [foss2023a-serial] -3.184094654954627e+02 6.593836587853730e-12 1.950839227175659e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184094654954768e+02 -7.446487870765850e-12 -2.203102920344926e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.184094654954678e+02 1.534772309241816e-12 4.540746477046794e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184094654954808e+02 -1.153921402874403e-11 -3.413968647557404e-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] -3.184094654954785e+02 -9.151790436590090e-12 -2.707630306683458e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184094654954769e+02 -7.560174708487466e-12 -2.236738079434161e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184094654954773e+02 -7.958078640513122e-12 -2.354461136246486e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184094654954698e+02 -5.115907697472721e-13 -1.513582159015598e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184094654954777e+02 -8.355982572538778e-12 -2.472184193058810e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184094654954768e+02 -7.446487870765850e-12 -2.203102920344926e-01 PASS