Match comparison for Hartree energy (match type 26857)

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > 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 3.356149974653125e+02 6.234213556198329e-06 3.356149945050000e+02 6.995000006781993e-06 PASS

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Detailed information

Reference: 335.61499383, precision: 0.00000841
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.356150014700000e+02 7.639999978437118e-06 9.084423279949009e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.356150014700000e+02 7.639999978437118e-06 9.084423279949009e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.356150011300000e+02 7.299999992937956e-06 8.680142678879851e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.356150014400000e+02 7.610000011482043e-06 9.048751499978648e-01 PASS
foss-ppc: [foss2022a-serial] 3.356150014100000e+02 7.579999987683550e-06 9.013079652418013e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss-serial-min: [foss2022a-serial] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
foss-serial-min: [foss2023a-serial] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.356150007300000e+02 6.900000016685226e-06 8.204518450279698e-01 PASS
foss-serial-full: [foss2023a-serial] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
foss-serial-full: [foss2023b-serial] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
foss-serial-min: [foss2023b-serial] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
foss-opt-full: [foss2023a-serial] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
foss-omp-full: [foss2023a-serial] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
intel-serial: [intel2023a-serial] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.356149875100000e+02 -6.320000011328375e-06 -7.514863271496284e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.356150015000000e+02 7.670000002235611e-06 9.120095127509643e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.356150015000000e+02 7.670000002235611e-06 9.120095127509643e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.356150015000000e+02 7.670000002235611e-06 9.120095127509643e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.356150015000000e+02 7.670000002235611e-06 9.120095127509643e-01 PASS
foss-mpi-min: [foss2022a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss-mpi-min: [foss2023a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.356150015000000e+02 7.670000002235611e-06 9.120095127509643e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 3.356150014800000e+02 7.649999986369949e-06 9.096313895802554e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.356150013900000e+02 7.559999971817888e-06 8.989298420710924e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.356149999600000e+02 6.129999974291422e-06 7.288941705459479e-01 PASS