Match comparison for Total energy (match type 30492)

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216905856667e+02 1.886526202279864e-05 -3.184216636750000e+02 4.183499999044216e-05 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -318.421689405, precision: 0.0000743
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_min_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_min_autotools: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_min_autotools: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_autotools: [foss2022a-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_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_opt_autotools: [foss2023a-serial] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184216950300000e+02 -5.625000028430804e-06 -7.570659526824770e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184216959100000e+02 -6.504999987555493e-06 -8.755047089576706e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184217005800000e+02 -1.117499999736538e-05 -1.504037684705972e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184216903100000e+02 -9.049999789567664e-07 -1.218034964948542e-02 PASS
foss_omp_autotools: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216957100000e+02 -6.304999999429128e-06 -8.485868101519688e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184216953700000e+02 -5.965000013929966e-06 -8.028263814172229e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184216905600000e+02 -1.155000006747287e-06 -1.554508757398771e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.184216907200000e+02 -1.315000019985746e-06 -1.769851978446495e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.184216950900000e+02 -5.685000019184372e-06 -7.651413215591348e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216950400000e+02 -5.634999979520217e-06 -7.584118411198137e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184216947600000e+02 -5.354999984774622e-06 -7.207267812617257e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184217038700000e+02 -1.446499999246953e-05 -1.946837145689035e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184216892600000e+02 1.450000013392128e-07 1.951547797297615e-03 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216946700000e+02 -5.265000027065980e-06 -7.086137317720027e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184216910800000e+02 -1.675000021350570e-06 -2.254374187551238e-02 PASS