Match comparison for Total energy (match type 30492)

Commits > Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216906834375e+02 1.817498187879744e-05 -3.184216636750000e+02 4.183499999044216e-05 PASS

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Detailed information

Reference: -318.421689405, precision: 0.0000743
Run Value Difference Relative difference Status
foss-serial-debug: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184216897600000e+02 -3.549999973984086e-07 -4.777927286654221e-03 PASS
foss-omp-full: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216949800000e+02 -5.574999988766649e-06 -7.503364722431560e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216948300000e+02 -5.424999983461021e-06 -7.301480462262477e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184216949900000e+02 -5.584999996699480e-06 -7.516823683310202e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184216913700000e+02 -1.965000024028996e-06 -2.644683747010761e-02 PASS
foss-mpi-min: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184216950700000e+02 -5.665000003318710e-06 -7.624495293834065e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184216950700000e+02 -5.665000003318710e-06 -7.624495293834065e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216958000000e+02 -6.395000013981189e-06 -8.606998672922192e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.184216924400000e+02 -3.035000020190637e-06 -4.084791413446348e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.184216924400000e+02 -3.035000020190637e-06 -4.084791413446348e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.184216943900000e+02 -4.985000032320386e-06 -6.709286719139146e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.184216933400000e+02 -3.934999995180988e-06 -5.296096897955569e-02 PASS
foss_autotools: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_autotools: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
intel_autotools: [intel2023a-serial] -3.184217039300000e+02 -1.452499998322310e-05 -1.954912514565693e-01 PASS
foss-serial-min: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184216951500000e+02 -5.745000009937939e-06 -7.732166904357926e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184217020100000e+02 -1.260499999489184e-05 -1.696500672260005e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184216948100000e+02 -5.405000024438777e-06 -7.274562617010467e-02 PASS
foss-serial-min: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss-serial-min: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.184216950900000e+02 -5.685000019184372e-06 -7.651413215591348e-02 PASS
foss-opt-full: [foss2023a-serial] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.184216907200000e+02 -1.315000019985746e-06 -1.769851978446495e-02 PASS