Marcus, Thank you for your suggestion. I try it. The computer gives me the same error message. The problem is that the program always looks for replica.tpr instead of replica0.tpr and replica1.tpr. I don't know why.
Best wishes! Dongsheng On Thu, 2006-05-04 at 18:38 +0200, Marcus Kubitzki wrote: > If you use the -deffnm option, you do not need -s, b/c it is > already accounted for with the -deffnm. > Marcus > > Dongsheng Zhang wrote: > > 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 > _______________________________________________ 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
