Hi Since the -np flag is no longer necessary with grompp for the version 4.0, how to tell Gromacs the number of the nodes being compiled together ?
Thank you Lin Chih-Ying Lin wrote: > > > Hi > I typed the command => > > grompp_mpi -np 16 -v -f md.mdp -c 6LYZ-MD5500.gro -p 6LYZ.top -o > 6LYZ-MD6000.tpr > > > It showed => > Invalid command line argument: -np > > > The above command works with 3.3.3 version but does not work with 4.0.5 > version. > > > I was checking grompp_mpi -h and cannot know the proper command for > compiling more than one > nodes. > As of version 4.0, the -np flag is no longer necessary with grompp. -Justin > > Thank you > Lin
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
