David, Thank you for your reply. I have provided replica0.tpr and replica1.tpr, but the program looks for replica.tpr. It surprises me.
I have also tried to run /home/brasilia/dong/mdrun_mpi -np 2 -replex 500 -reseed -1 -multi -s replica0 replica1 -deffnm replica -N 2 -v >& zevel It doesn't work either (complains only one replica: Nothing to exchange with only one replica). it seems the program does not recognize the -multi option. Best wishes! Dongsheng On Thu, 2006-05-04 at 18:11 +0200, David van der Spoel wrote: > Dongsheng Zhang wrote: > > Dear gmx users, > > > > I have trouble to run REMD on one node with two processors. The command > > I used is > > /home/brasilia/dong/mdrun_mpi -np 2 -replex 500 -reseed -1 -multi -s > > replica -deffnm replica -N 2 -v >& zevel > > > > the error message is: > > > > Can not open file: > > replica.tpr > > you need replica0 and replica1.tpr > > > > > > This error message looks strange to me. Because I have used -multi, the > > program should look for replica0.tpr and replica1.tpr. Could anyone > > point out what's wrong in my command? > > > > > > Thank you in advance! > > > > > > Dongsheng > > _______________________________________________ > > gmx-users mailing list gmx-users@gromacs.org > > http://www.gromacs.org/mailman/listinfo/gmx-users > > 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/mailing_lists/users.php > > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
