Match comparison for Kinetic energy (match type 26861)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.740758272200000e+02 2.370000000000000e-07 1.740758270338889e+02 9.849641217927608e-08 1.740758272250000e+02 2.150000000256114e-07 PASS

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Detailed information

Reference: 174.07582722, precision: 0.000000237
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
cmake_foss_2022a_full_serial 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2022a_serial 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2022a_ppc 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2022a_mpi_min 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 1.740758274400000e+02 2.200000039920269e-07 9.282700590380882e-01 PASS
cmake_foss_2022a_full_mpi 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2022a_mpi 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
cmake_foss_2022a_min_serial 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_mpi 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
cmake_foss_2022a_min_mpi 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_mpi_debug 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_mpi_min 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_serial 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_mpi_opt 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_serial_debug 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_serial_min 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_serial_opt 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_mpi_omp 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023b_serial 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2023a_serial_omp 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_intel-2023a_serial 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_intel-2022a_serial_omp 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_intel-2023a_serial_omp 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_intel-2023a_impi 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_intel-2022a_impi_omp 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
spack_foss-2022a_cuda_mpi_omp 1.740758274400000e+02 2.200000039920269e-07 9.282700590380882e-01 PASS
spack_foss-2022a_cuda_serial 1.740758274400000e+02 2.200000039920269e-07 9.282700590380882e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 1.740758270100000e+02 -2.099999960591958e-07 -8.860759327392230e-01 PASS