Thank you, David. I try it as:
mpirun -np 2 n1 /home/brasilia/dong/mdrun_mpi_MC -replex 500 -reseed -1 -s replica -v >& zevel It gives me the same error message: Can not open file: replica.tpr Any other suggestions? Thanks! Dongsheng On Thu, 2006-05-04 at 20:17 +0200, David van der Spoel wrote: > Dongsheng Zhang wrote: > > 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 > > remove the -N 2 -multi -deffnm replica options and try again. > > > > > > 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 > > _______________________________________________ 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
