[gmx-users] REMD in one nodes with two processors

[David van der Spoel]

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 at 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 gmx-users-request at gromacs.org.
>>>>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>>>>
>>> _______________________________________________
>>> gmx-users mailing list    gmx-users at 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 gmx-users-request at gromacs.org.
>>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> _______________________________________________
> gmx-users mailing list    gmx-users at 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++