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

Commits > Commit 4ba8d1ba4a84cee910627f85cb1ba733d430c04d > 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 -3.184094654954721e+02 8.728273066313695e-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-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-min: [foss2022a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-serial-full: [foss2023b-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
foss-serial-min: [foss2023a-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-cmake-zen4: [foss2023a-serial, foss-full] -3.184094654954549e+02 1.438138497178443e-11 2.792501936268821e-01 PASS
foss-opt-full: [foss2023a-serial] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.184094654954787e+02 -9.379164112033322e-12 -1.821196914957927e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184094654954627e+02 6.650680006714538e-12 1.291394176061075e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.184094654954712e+02 -1.875832822406664e-12 -3.642393829915853e-02 PASS
foss-omp-full: [foss2023a-serial] -3.184094654954627e+02 6.593836587853730e-12 1.280356619000724e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 PASS
intel-serial: [intel2023a-serial] -3.184094654954738e+02 -4.490630090003833e-12 -8.719670077677345e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.184094654954549e+02 1.438138497178443e-11 2.792501936268821e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.184094654954773e+02 -8.014922059373930e-12 -1.556295545509501e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.184094654954719e+02 -2.557953848736361e-12 -4.966900677157982e-02 PASS
intel-omp: [intel2023a-serial] -3.184094654954678e+02 1.534772309241816e-12 2.980140406294789e-02 PASS
intel-omp: [intel2022a-serial] -3.184094654954766e+02 -7.332801033044234e-12 -1.423844860785288e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.184094654954769e+02 -7.560174708487466e-12 -1.467995089026692e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184094654954702e+02 -8.526512829121202e-13 -1.655633559052661e-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-mpi-omp-full: [foss2023a-mpi] -3.184094654954787e+02 -9.436007530894130e-12 -1.832234472018278e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184094654954876e+02 -1.824673745431937e-11 -3.543055816372693e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184094654954753e+02 -5.968558980384842e-12 -1.158943491336862e-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
cuda-serial: [foss2022a-cuda-mpi] -3.184094654954773e+02 -7.958078640513122e-12 -1.545257988449150e-01 PASS