Match comparison for Hartree energy (match type 26857)

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.356149938300000e+02 8.410000000000001e-06 3.356150009053334e+02 2.743554541679516e-06 3.356149938300000e+02 7.649999986369949e-06 PASS
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Detailed information

Reference: 335.61499383, precision: 0.00000841
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_min_autotools: [foss2023a-serial] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
intel_autotools: [intel2023a-serial] 3.356149861800000e+02 -7.649999986369949e-06 -9.096313895802554e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_autotools: [foss2023a-serial] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_autotools: [foss2023b-serial] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_autotools: [foss2022a-serial] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.356150014600000e+02 7.629999970504286e-06 9.072532664095465e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.356150014700000e+02 7.639999978437118e-06 9.084423279949009e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.356150010900000e+02 7.260000018050050e-06 8.632580283055945e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.356150002700000e+02 6.439999992835510e-06 7.657550526558276e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.356150014400000e+02 7.610000011482043e-06 9.048751499978648e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.356150013900000e+02 7.559999971817888e-06 8.989298420710924e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS