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

Commits > Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 > 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
cmake_foss_2022a_full_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_ppc 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_serial 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_opt 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
intel-2022b 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_omp 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_foss-2022a_serial_debug 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_fosscuda-2022a 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022b_impi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a_impi 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
foss-2022a_mpi_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022b_libxc6 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a_debug 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a_mpi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a_omp_impi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022b_libxc6_mpi 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a_mpi_debug 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_fosscuda-2022a_mpi_omp 9.235785409000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS