Match comparison for Kinetic energy (match type 26861)

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.740758280600000e+02 2.570000000000000e-06 1.740758260231250e+02 2.061315881131139e-07 1.740758259600000e+02 2.600000073016417e-07 PASS

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Detailed information

Reference: 174.07582806, precision: 0.00000257
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 1.740758261500000e+02 -1.909999980398425e-06 -7.431906538515272e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 1.740758261500000e+02 -1.909999980398425e-06 -7.431906538515272e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 1.740758261700000e+02 -1.889999992954472e-06 -7.354085575698335e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 1.740758261800000e+02 -1.879999985021641e-06 -7.315175038994712e-01 PASS
foss-serial-min: [foss2023a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
intel-serial: [intel2023a-serial] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss-serial-min: [foss2022a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss-serial-full: [foss2023b-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss-serial-min: [foss2023b-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss-opt-full: [foss2023a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss-serial-full: [foss2023a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss-serial-debug: [foss2023a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
intel_omp_autotools: [intel2022a-serial] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss-ppc: [foss2022a-serial] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss-omp-full: [foss2023a-serial] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
intel_omp_autotools: [intel2023a-serial] 1.740758262200000e+02 -1.839999981712026e-06 -7.159533002770530e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss-mpi-full: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss-mpi-min: [foss2022a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss-mpi-min: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 1.740758261300000e+02 -1.929999996264087e-06 -7.509727611922516e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 1.740758257000000e+02 -2.359999996315310e-06 -9.182879363094589e-01 PASS