Dear Justin, Thanks for your good guidance (There is only one program now.).
My previous problem was solved. Now, I have another question. I used two times following commands for my system (protein): gmx_mpi mdrun -v -deffnm npt >& npt_1.job & gmx_mpi mdrun -nb gpu -v -deffnm npt >& npt_2.job & In both cases, run will finish Mon Sep 5 06:33:19 2016 (same time). Run on gpu should faster than that on cpu. Why is not it for me? How to find mdrun run on gpu or cpu? Best, Atila -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
