Dear David, I had tried mpirun before, it didn't work either. the command was: mpirun -np 2 n1 /home/brasilia/dong/mdrun_mpi_MC -replex 500 -reseed -1 -multi -s replica -deffnm replica -N 2 -v >& zevel
Because the two processors are in one node, so I changed my command to ( and go to the local node n1 to submit the job): /home/brasilia/dong/mdrun_mpi -np 2 -replex 500 -reseed -1 -multi -s replica -deffnm replica -N 2 -v >& zevel Could you please tell me if there is any way to check if the program can recognize -multi option? Thank you! Dongsheng On Thu, 2006-05-04 at 19:13 +0200, David van der Spoel wrote: > Dongsheng Zhang wrote: > > 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. > > > use mpirun > search mailinglist > > > > 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 > > _______________________________________________ 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
