I am using the same line, but it crashes...Is that because my trr files is big that it cand append the files? It was ~ 40 GB when crash happened...
I am using 4.5.4. I tried both with and without -append. On 13 August 2012 16:19, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 8/13/12 4:16 PM, Juliette N. wrote: >> >> Sorry Justin, but I dont see whats happening... >> Do I have to remove mpi or -np from the line while using -cpi *.cpt ? >> > > No, you don't. All you should need (provided the .cpt file is valid, which > it appears to be from the gmxcheck output from before) is: > > mpirun -np 8 mdrun_mpi -deffnm md -cpi -append > > > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- Thanks, J. N. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
