Actually, I correct myself, it's not even a 85x85x85 system, it's a 45x45x45 box system with water solvent + large multiple solutes.
Xu Dong Huang Chemical & Biochemical Engineering Rutgers School of Engineering [email protected] On Jan 3, 2013, at 9:29 PM, Xu Dong Huang <[email protected]> wrote: > Dear gromac users, > > I submitted my NPT run into a MPI cluster. The size of my run system is an > 85x85x85 box filled with water solvent. and I set NPT steps to be 1000000 > (1million) with dt 0.02. The log says It will finish sometime in mid or > towards end of february. > > Is that normal for a NPT run of that size? Or am I just faced with slow > technology. Or am I doing something wrong (I requested 6 cores for my run) > Please let me know, thanks. > > Xu Dong Huang > Chemical & Biochemical Engineering > Rutgers School of Engineering > [email protected] > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
