Match comparison for Total energy (match type 30233)

Commits > Commit ea6affb390844fd1d159151b43e705a091215c1a > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 4.780000000000000e-05 -3.184216939988889e+02 9.088999590166789e-06 -3.184216871750000e+02 2.082500000710752e-05 PASS
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Detailed information

Reference: -318.421689405, precision: 0.0000478
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023a_serial_opt -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
spack_foss-2023a_serial -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023a_serial_min -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023b_serial -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2022a_serial -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2022a_mpi_min -3.184216663500000e+02 2.305499998556115e-05 4.823221754301496e-01 PASS
spack_foss-2022a_ppc -3.184216944700000e+02 -5.064999982096197e-06 -1.059623427216777e-01 PASS
spack_foss-2023a_mpi_min -3.184216663500000e+02 2.305499998556115e-05 4.823221754301496e-01 PASS
spack_foss-2023a_serial_omp -3.184217055100000e+02 -1.610499998605519e-05 -3.369246859007362e-01 PASS
spack_foss-2022a_mpi -3.184216933400000e+02 -3.934999995180988e-06 -8.232217563140141e-02 PASS
spack_foss-2023a_mpi -3.184216955500000e+02 -6.144999986190669e-06 -1.285564850667504e-01 PASS
spack_foss-2023a_serial_debug -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023a_mpi_debug -3.184216953200000e+02 -5.915000031109230e-06 -1.237447705252977e-01 PASS
spack_foss-2023a_mpi_omp -3.184216952800000e+02 -5.874999999377906e-06 -1.229079497777804e-01 PASS
cmake_foss_2022a_full_serial -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
cmake_foss_2022a_min_serial -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
cmake_foss_2022a_min_mpi -3.184217080000000e+02 -1.859500002865389e-05 -3.890167370011273e-01 PASS
cmake_foss_2022a_full_mpi -3.184216944200000e+02 -5.014999999275460e-06 -1.049163179764740e-01 PASS
spack_intel-2023a_serial -3.184217039300000e+02 -1.452499998322310e-05 -3.038702925360480e-01 PASS
spack_intel-2022a_impi_omp -3.184216956700000e+02 -6.265000024541223e-06 -1.310669461201092e-01 PASS
spack_intel-2022a_serial_omp -3.184216950900000e+02 -5.685000019184372e-06 -1.189330547946521e-01 PASS
spack_intel-2023a_serial_omp -3.184216907200000e+02 -1.315000019985746e-06 -2.751046066915786e-02 PASS
spack_intel-2023a_impi -3.184216944300000e+02 -5.025000007208291e-06 -1.051255231633534e-01 PASS
spack_foss-2023a_mpi_opt -3.184217025800000e+02 -1.317499999231586e-05 -2.756276149020054e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.184216905600000e+02 -1.155000006747287e-06 -2.416318005747461e-02 PASS
spack_foss-2022a_cuda_serial -3.184216910800000e+02 -1.675000021350570e-06 -3.504184145084874e-02 PASS