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

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > 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 -3.184094654954724e+02 8.252359696365195e-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-serial-min: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.184094654954773e+02 -8.014922059373930e-12 -1.556295545509501e-01 PASS
foss-serial-min: [foss2022a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.184094654954712e+02 -1.875832822406664e-12 -3.642393829915853e-02 PASS
foss-serial-full: [foss2023b-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-serial-min: [foss2023b-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-opt-full: [foss2023a-serial] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 PASS
foss-ppc: [foss2022a-serial] -3.184094654954775e+02 -8.242295734817162e-12 -1.600445773750905e-01 PASS
foss-serial-full: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-serial-debug: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 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-omp-full: [foss2023a-serial] -3.184094654954627e+02 6.593836587853730e-12 1.280356619000724e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.184094654954800e+02 -1.074340616469271e-11 -2.086098284406352e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184094654954783e+02 -9.038103598868474e-12 -1.754971572595820e-01 PASS
intel-serial: [intel2023a-serial] -3.184094654954738e+02 -4.490630090003833e-12 -8.719670077677345e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.184094654954786e+02 -9.265477274311706e-12 -1.799121800837225e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184094654954784e+02 -9.094947017729282e-12 -1.766009129656171e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.184094654954720e+02 -2.671640686457977e-12 -5.187651818365003e-02 PASS
foss-mpi-min: [foss2022a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -3.785882071700417e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -3.785882071700417e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184094654954674e+02 1.875832822406664e-12 3.642393829915853e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.184094654954770e+02 -7.673861546209082e-12 -1.490070203147394e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184094654954799e+02 -1.062971932697110e-11 -2.064023170285650e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184094654954799e+02 -1.062971932697110e-11 -2.064023170285650e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184094654954787e+02 -9.379164112033322e-12 -1.821196914957927e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.184094654954773e+02 -7.958078640513122e-12 -1.545257988449150e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -3.184094654954721e+02 -2.842170943040401e-12 -5.518778530175535e-02 PASS