Match comparison for Ion-ion energy (match type 26820)

Commits > Commit a52301560213e3c8fdab44f55dc98126fab73840 > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
9.235785409000000e+01 4.620000000000000e-07 9.235785408999999e+01 1.421085471520200e-14 9.235785409000000e+01 0.000000000000000e+00 PASS
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Detailed information

Reference: 92.35785409, precision: 0.000000462
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_ppc 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_autotools: [intel2023a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_min_autotools: [foss2022a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_min_autotools: [foss2023a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_min_autotools: [foss2023b-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2022a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2023b-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_autotools: [foss2023a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS