[gmx-users] Parallel run error

[Itamar Kass]

try mpirun -np 2 mdrun ... -np2


On Nov 25, 2004, at 1:27 AM, David wrote:

> On Wed, 2004-11-24 at 20:07 +0000, M.Naser wrote:
>> Hi Itamar,
>>
>> Thanks for your response. The followings are the commands I have been  
>> using:
>> grompp -f md.mdp -c confout.gro -o pro.tpr -p pro.top -np 2
>> mpirun -c 2  mdrun -s pro.tpr -o pro.trr -v
>>
> does it run fine on one processor?
>> Thanking you again,
>>
>> Abu
>>
>>
>>> can you send the complete commands you used, how you run grompp and
>>> mdrun?  It will help.
>>>
>>> M.Naser wrote:
>>>
>>>> Hi All Users,
>>>>
>>>> I have been trying to run a molecular simulation on 2 nodes. I have  
>>>> been
>>>> getting the following error message:
>>>>
>>>> One of the processes started by mpirun has exited with a nonzero  
>>>> exit
>>>> code.  This typically indicates that the process finished in error.
>>>> If your process did not finish in error, be sure to include a  
>>>> "return
>>>> 0" or "exit(0)" in your C code before exiting the application.
>>>>
>>>> PID 30006 failed on node n1 (10.10.10.2) due to signal 11.
>>>>
>>>> Cloud anyone  give me a clue what went wrong?
>>>>
>>>>
>>>>
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>>
>>
>>
>> ________________________________________________________________
>>
>> DISCLAIMER:
>>
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>> Watt University does not accept liability or responsibility
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> --  
> 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://xray.bmc.uu.se/~spoel
> +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 
> +
>
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| Itamar Kass
| The Alexander Silberman
| Institute of Life Sciences
| Department of Biological Chemistry
| The Hebrew University, Givat-Ram
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