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

Commits > Commit 94d58911903c32860449c62a795f2d74d19217f9 > 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 -3.184094654954713e+02 8.224884180411775e-12 -3.184094654954719e+02 1.693933882052079e-11 PASS
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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] -3.184094654954795e+02 -1.023181539494544e-11 -1.986760270863193e-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: [foss2023b-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-zen4: [foss2023a-mpi, foss-min-mpi] -3.184094654954724e+02 -3.069544618483633e-12 -5.960280812589578e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 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: [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] -3.184094654954600e+02 9.265477274311706e-12 1.799121800837225e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -3.785882071700417e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184094654954758e+02 -6.536993168992922e-12 -1.269319061940373e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.184094654954678e+02 1.534772309241816e-12 2.980140406294789e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.184094654954766e+02 -7.332801033044234e-12 -1.423844860785288e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184094654954766e+02 -7.332801033044234e-12 -1.423844860785288e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184094654954771e+02 -7.787548383930698e-12 -1.512145317268097e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184094654954771e+02 -7.787548383930698e-12 -1.512145317268097e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184094654954775e+02 -8.242295734817162e-12 -1.600445773750905e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184094654954773e+02 -7.958078640513122e-12 -1.545257988449150e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184094654954647e+02 4.604316927725449e-12 8.940421218884367e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184094654954761e+02 -6.764366844436154e-12 -1.313469290181777e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184094654954615e+02 7.787548383930698e-12 1.512145317268097e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184094654954777e+02 -8.355982572538778e-12 -1.622520887871607e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184094654954760e+02 -6.650680006714538e-12 -1.291394176061075e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184094654954782e+02 -8.924416761146858e-12 -1.732896458475118e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184094654954750e+02 -5.684341886080801e-12 -1.103755706035107e-01 PASS