[gmx-users] Why is there a NxN VdW [F] on a separate line?

Theodore Si sjyzhxw at gmail.com
Tue Aug 5 11:00:28 CEST 2014


This is extracted from a log file of a mdrun of 512 openMP threads 
without GPU acceleration. Since the first line and third line both have 
N*N Vdw [F], does the former include the latter?


As we can see, in the log file of a mdrun of 8 openMP threads without 
GPU acceleration, there is no standalone N*N Vdw [F], why the difference?




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