Match comparison for Total energy (match type 30233)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 4.780000000000000e-05 -3.184216902376923e+02 2.014896471965869e-05 -3.184216636750000e+02 4.183499999044216e-05 FAIL

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Detailed information

Reference: -318.421689405, precision: 0.0000478
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.184217039800000e+02 -1.457500002288725e-05 -3.049163184704446e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216932600000e+02 -3.854999988561758e-06 -8.064853532555978e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.184216944200000e+02 -5.014999999275460e-06 -1.049163179764740e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -3.184217039300000e+02 -1.452499998322310e-05 -3.038702925360480e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -3.369246859007362e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -3.184216945100000e+02 -5.105000013827521e-06 -1.067991634691950e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -3.184216950900000e+02 -5.685000019184372e-06 -1.189330547946521e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -3.184216907200000e+02 -1.315000019985746e-06 -2.751046066915786e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -1.059623427216777e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
GCI_foss_autotools: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 1.413493723741195e+00 FAIL
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 1.413493723741195e+00 FAIL
GCI_foss_mpi_autotools: [foss2023a-mpi] -3.184216956300000e+02 -6.224999992809899e-06 -1.302301253725920e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -3.184216946300000e+02 -5.224999995334656e-06 -1.093096233333610e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216945500000e+02 -5.144999988715426e-06 -1.076359830275194e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -3.184216951200000e+02 -5.714999986139446e-06 -1.195606691660972e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216946600000e+02 -5.255000019133149e-06 -1.099372388939989e-01 PASS