On 11/8/19 6:20 PM, ZHANG Cheng wrote:
I think I managed to use the correct command: mpirun -np 12 gmx_mpi mdrun -v -multidir ./equil[0123] However, I was told [proxy:0:0...@node-e00a-002.myriad.ucl.ac.uk] HYDU_create_process (../../utils/launch/launch.c:825): execvp error on file gmx_mpi (No such file or directory) So how to make it correct?
You need to configure your $PATH to find the gmx_mpi binary. http://manual.gromacs.org/current/install-guide/index.html#getting-access-to-gromacs-after-installation -Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Office: 301 Fralin Hall Lab: 303 Engel Hall Virginia Tech Department of Biochemistry 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.thelemkullab.com ================================================== -- 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.
