Match comparison for Total energy (match type 30233)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 4.780000000000000e-05 -3.184216939511111e+02 9.460254607962801e-06 -3.184216907150000e+02 2.436500000158048e-05 PASS
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Detailed information

Reference: -318.421689405, precision: 0.0000478
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
spack_foss-2022a_ppc -3.184216944700000e+02 -5.064999982096197e-06 -1.059623427216777e-01 PASS
cmake_foss_2022a_min_serial -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
cmake_foss_2022a_min_mpi -3.184216924100000e+02 -3.004999996392144e-06 -6.286610871113271e-02 PASS
cmake_foss_2022a_full_mpi -3.184216952600000e+02 -5.854999983512243e-06 -1.224895394040218e-01 PASS
spack_foss-2022a_mpi_min -3.184216663500000e+02 2.305499998556115e-05 4.823221754301496e-01 PASS
spack_foss-2022a_mpi -3.184216955900000e+02 -6.185000017921993e-06 -1.293933058142676e-01 PASS
spack_foss-2022a_serial -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2022a_serial_min -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023a_mpi -3.184216957800000e+02 -6.374999998115527e-06 -1.333682007973959e-01 PASS
spack_foss-2023a_mpi_min -3.184216663500000e+02 2.305499998556115e-05 4.823221754301496e-01 PASS
spack_foss-2023a_serial_min -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023a_serial -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023a_mpi_opt -3.184216897300000e+02 -3.250000304433343e-07 -6.799163816806155e-03 PASS
spack_foss-2023a_mpi_debug -3.184216949900000e+02 -5.584999996699480e-06 -1.168410041150519e-01 PASS
spack_foss-2023a_serial_opt -3.184217010400000e+02 -1.163500002121509e-05 -2.434100422848345e-01 PASS
spack_foss-2023b_serial -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023a_serial_debug -3.184216927000000e+02 -3.294999999070569e-06 -6.893305437386127e-02 PASS
spack_foss-2023a_serial_omp -3.184217055100000e+02 -1.610499998605519e-05 -3.369246859007362e-01 PASS
spack_intel-2022a_serial_omp -3.184216950900000e+02 -5.685000019184372e-06 -1.189330547946521e-01 PASS
spack_foss-2023a_mpi_omp -3.184216950200000e+02 -5.615000020497973e-06 -1.174686196756898e-01 PASS
spack_intel-2023a_serial -3.184217039300000e+02 -1.452499998322310e-05 -3.038702925360480e-01 PASS
spack_intel-2023a_impi -3.184216945600000e+02 -5.154999996648257e-06 -1.078451882143987e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.184216954400000e+02 -6.035000012616365e-06 -1.262552303894637e-01 PASS
spack_intel-2023a_serial_omp -3.184216907200000e+02 -1.315000019985746e-06 -2.751046066915786e-02 PASS
spack_intel-2022a_impi_omp -3.184217150800000e+02 -2.567500001759981e-05 -5.371338915815860e-01 PASS
spack_foss-2022a_cuda_serial -3.184216910800000e+02 -1.675000021350570e-06 -3.504184145084874e-02 PASS