KIM ID VC_303890932454_005-and-SM_259779394709_000-vr
KIM ID (with timestamp) VC_303890932454_005-and-SM_259779394709_000-1686590612-vr
KIM Item Type Verification Result
Verification Check DimerContinuityC1__VC_303890932454_005
Simulator Model Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
Properties
Whetstone Benchmark
http://en.wikipedia.org/wiki/Whetstone_(benchmark)

Measured in Millions of Whetstone Instructions Per Second (MWIPS)
7362.05
CPU AMD EPYC 7662 64-Core Processor
Usertime
The amount of time the CPU was busy executing code in user space.

Measured in seconds
16483.93
Usertime × Whetstone Benchmark
Usertime multiplied by the Whetstone Benchmark. This number can be used (approximately) to compare the performance of different models independently of the architecture on which the test was run.

Measured in Millions of Whetstone Instructions (MWI)
121355517
Grade F
Category informational
Name vc-dimer-continuity-c1
Description Determines whether a model has a continuous energy and first derivative, i.e. belongs to the C^1 continuity class, for all possible dimers. For a model supporting N species, there are N + N!/(2(N-2)! distinct dimers for all possible species combinations. (For example if N=3, there are 3+3!/2=6 dimers. If the species are A,B,C, the 6 dimers are AA, BB, CC, AB, AC, BC.) For each dimer, the equilibrium separation and cutoff are determined. The continuity across the cutoff is assessed. Then an analysis is performed to detect any discontinuities from half the equilibrium distance to the cutoff. Although the verification check only requires C^1 continuity to pass, continuity up to 3rd order is checked and reported.
dimer-energy-BrBr.dat
dimer-energy-deriv-1-BrBr.dat
dimer-energy-deriv-2-BrBr.dat
dimer-energy-deriv-3-BrBr.dat
dimer-energy-ClCl.dat
dimer-energy-deriv-1-ClCl.dat
dimer-energy-deriv-2-ClCl.dat
dimer-energy-deriv-3-ClCl.dat
dimer-energy-CsCs.dat
dimer-energy-deriv-1-CsCs.dat
dimer-energy-deriv-2-CsCs.dat
dimer-energy-deriv-3-CsCs.dat
dimer-energy-FF.dat
dimer-energy-deriv-1-FF.dat
dimer-energy-deriv-2-FF.dat
dimer-energy-deriv-3-FF.dat
dimer-energy-II.dat
dimer-energy-deriv-1-II.dat
dimer-energy-deriv-2-II.dat
dimer-energy-deriv-3-II.dat
dimer-energy-KK.dat
dimer-energy-deriv-1-KK.dat
dimer-energy-deriv-2-KK.dat
dimer-energy-deriv-3-KK.dat
dimer-energy-LiLi.dat
dimer-energy-deriv-1-LiLi.dat
dimer-energy-deriv-2-LiLi.dat
dimer-energy-deriv-3-LiLi.dat
dimer-energy-NaNa.dat
dimer-energy-deriv-1-NaNa.dat
dimer-energy-deriv-2-NaNa.dat
dimer-energy-deriv-3-NaNa.dat
dimer-energy-RbRb.dat
dimer-energy-deriv-1-RbRb.dat
dimer-energy-deriv-2-RbRb.dat
dimer-energy-deriv-3-RbRb.dat
dimer-energy-BrCl.dat
dimer-energy-deriv-1-BrCl.dat
dimer-energy-deriv-2-BrCl.dat
dimer-energy-deriv-3-BrCl.dat
dimer-energy-BrCs.dat
dimer-energy-deriv-1-BrCs.dat
dimer-energy-deriv-2-BrCs.dat
dimer-energy-deriv-3-BrCs.dat
dimer-energy-BrF.dat
dimer-energy-deriv-1-BrF.dat
dimer-energy-deriv-2-BrF.dat
dimer-energy-deriv-3-BrF.dat
dimer-energy-BrI.dat
dimer-energy-deriv-1-BrI.dat
dimer-energy-deriv-2-BrI.dat
dimer-energy-deriv-3-BrI.dat
dimer-energy-BrK.dat
dimer-energy-deriv-1-BrK.dat
dimer-energy-deriv-2-BrK.dat
dimer-energy-deriv-3-BrK.dat
dimer-energy-BrLi.dat
dimer-energy-deriv-1-BrLi.dat
dimer-energy-deriv-2-BrLi.dat
dimer-energy-deriv-3-BrLi.dat
dimer-energy-BrNa.dat
dimer-energy-deriv-1-BrNa.dat
dimer-energy-deriv-2-BrNa.dat
dimer-energy-deriv-3-BrNa.dat
dimer-energy-BrRb.dat
dimer-energy-deriv-1-BrRb.dat
dimer-energy-deriv-2-BrRb.dat
dimer-energy-deriv-3-BrRb.dat
dimer-energy-ClCs.dat
dimer-energy-deriv-1-ClCs.dat
dimer-energy-deriv-2-ClCs.dat
dimer-energy-deriv-3-ClCs.dat
dimer-energy-ClF.dat
dimer-energy-deriv-1-ClF.dat
dimer-energy-deriv-2-ClF.dat
dimer-energy-deriv-3-ClF.dat
dimer-energy-ClI.dat
dimer-energy-deriv-1-ClI.dat
dimer-energy-deriv-2-ClI.dat
dimer-energy-deriv-3-ClI.dat
dimer-energy-ClK.dat
dimer-energy-deriv-1-ClK.dat
dimer-energy-deriv-2-ClK.dat
dimer-energy-deriv-3-ClK.dat
dimer-energy-ClLi.dat
dimer-energy-deriv-1-ClLi.dat
dimer-energy-deriv-2-ClLi.dat
dimer-energy-deriv-3-ClLi.dat
dimer-energy-ClNa.dat
dimer-energy-deriv-1-ClNa.dat
dimer-energy-deriv-2-ClNa.dat
dimer-energy-deriv-3-ClNa.dat
dimer-energy-ClRb.dat
dimer-energy-deriv-1-ClRb.dat
dimer-energy-deriv-2-ClRb.dat
dimer-energy-deriv-3-ClRb.dat
dimer-energy-CsF.dat
dimer-energy-deriv-1-CsF.dat
dimer-energy-deriv-2-CsF.dat
dimer-energy-deriv-3-CsF.dat
dimer-energy-CsI.dat
dimer-energy-deriv-1-CsI.dat
dimer-energy-deriv-2-CsI.dat
dimer-energy-deriv-3-CsI.dat
dimer-energy-CsK.dat
dimer-energy-deriv-1-CsK.dat
dimer-energy-deriv-2-CsK.dat
dimer-energy-deriv-3-CsK.dat
dimer-energy-CsLi.dat
dimer-energy-deriv-1-CsLi.dat
dimer-energy-deriv-2-CsLi.dat
dimer-energy-deriv-3-CsLi.dat
dimer-energy-CsNa.dat
dimer-energy-deriv-1-CsNa.dat
dimer-energy-deriv-2-CsNa.dat
dimer-energy-deriv-3-CsNa.dat
dimer-energy-CsRb.dat
dimer-energy-deriv-1-CsRb.dat
dimer-energy-deriv-2-CsRb.dat
dimer-energy-deriv-3-CsRb.dat
dimer-energy-FI.dat
dimer-energy-deriv-1-FI.dat
dimer-energy-deriv-2-FI.dat
dimer-energy-deriv-3-FI.dat
dimer-energy-FK.dat
dimer-energy-deriv-1-FK.dat
dimer-energy-deriv-2-FK.dat
dimer-energy-deriv-3-FK.dat
dimer-energy-FLi.dat
dimer-energy-deriv-1-FLi.dat
dimer-energy-deriv-2-FLi.dat
dimer-energy-deriv-3-FLi.dat
dimer-energy-FNa.dat
dimer-energy-deriv-1-FNa.dat
dimer-energy-deriv-2-FNa.dat
dimer-energy-deriv-3-FNa.dat
dimer-energy-FRb.dat
dimer-energy-deriv-1-FRb.dat
dimer-energy-deriv-2-FRb.dat
dimer-energy-deriv-3-FRb.dat
dimer-energy-IK.dat
dimer-energy-deriv-1-IK.dat
dimer-energy-deriv-2-IK.dat
dimer-energy-deriv-3-IK.dat
dimer-energy-ILi.dat
dimer-energy-deriv-1-ILi.dat
dimer-energy-deriv-2-ILi.dat
dimer-energy-deriv-3-ILi.dat
dimer-energy-INa.dat
dimer-energy-deriv-1-INa.dat
dimer-energy-deriv-2-INa.dat
dimer-energy-deriv-3-INa.dat
dimer-energy-IRb.dat
dimer-energy-deriv-1-IRb.dat
dimer-energy-deriv-2-IRb.dat
dimer-energy-deriv-3-IRb.dat
dimer-energy-KLi.dat
dimer-energy-deriv-1-KLi.dat
dimer-energy-deriv-2-KLi.dat
dimer-energy-deriv-3-KLi.dat
dimer-energy-KNa.dat
dimer-energy-deriv-1-KNa.dat
dimer-energy-deriv-2-KNa.dat
dimer-energy-deriv-3-KNa.dat
dimer-energy-KRb.dat
dimer-energy-deriv-1-KRb.dat
dimer-energy-deriv-2-KRb.dat
dimer-energy-deriv-3-KRb.dat
dimer-energy-LiNa.dat
dimer-energy-deriv-1-LiNa.dat
dimer-energy-deriv-2-LiNa.dat
dimer-energy-deriv-3-LiNa.dat
dimer-energy-LiRb.dat
dimer-energy-deriv-1-LiRb.dat
dimer-energy-deriv-2-LiRb.dat
dimer-energy-deriv-3-LiRb.dat
dimer-energy-NaRb.dat
dimer-energy-deriv-1-NaRb.dat
dimer-energy-deriv-2-NaRb.dat
dimer-energy-deriv-3-NaRb.dat