Hi, which version of votca are you using?
2012/7/23 Soree Kim <[email protected]>: > Hi, I am working on CG simulations with VOTCA. > > I have a question about settings.xml options. > > I want to use "mdrun -nt" option, but I don't know where to put it. > > I have tried <mdrun><command> -nt 8 </command></mdrun> and > <mdrun><opts> -nt 8 </opts></mdrun>. The according xml option is: "cg.inverse.gromacs.mdrun.opts", so <cg> <inverse> <gromacs> <mdrun> <opts> -nt 4 </opts> </mdrun> </gromacs> </inverse> </cg> In most case that should not be needed at all, as mdrun detects the number of cpus automatically. (-nt 0 is the default) Christoph > > However, it doesn't work. > > Please, tell me what is the problem. > > Thank you. > > Best, > Soree Kim > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To view this discussion on the web visit > https://groups.google.com/d/msg/votca/-/Qr1ysYGC4E0J. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
