[gmx-users] mdrun's mpi version error

[Tivadar Orban]

On Saturday, October 26, 2002, at 02:42 PM, David wrote:

> On Sat, 2002-10-26 at 20:02, Tivadar Orban wrote:
>>
>> On Saturday, October 26, 2002, at 01:48 PM, David wrote:
>>
>>> On Sat, 2002-10-26 at 19:34, Tivadar Orban wrote:
>>>> Hi,
>>>> I'm want to run a test on a MacOSX cluster and I have got this error
>>>> as
>>>> an output of mdrun (output.mdrun_md) from the demo script provided:
>>>>>>>>>
>>>
>>> seems to be a permission problem,
>> I have specified the path for mdrun when running with mpirun, and is
>> the same output
>> mpirun -np 4 -v /usr/local/gromacs/powerpc-apple-darwin6.1/bin/mdrun  
>> ...
>>
>>> i.e. your machine can not write the
>>> log files. Try giving complete paths. Do you have the same disk /
>>> directory on all nodes ?
>>>
>> Yes on all nodes the user is the same, also gromacs is installed in
>> /usr/local/gromacs/...
>
> What I mean is that you apparently can not write your md*.log files,
> i.e. the node try to write it somewhere that you do not have  
> permission.
> Try:
> mpirun mdrun -g /home/tivadar/md.log
> etc. (or wherever your home dir is)
>

Thanks a lot for your help,
it is working now.
I'll do now some benchmarks for the Mac OS X cluster

Regards,
Tivadar, Orban

>
> --  
> Groeten, David.
> _______________________________________________________________________ 
> _
> Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
> Husargatan 3, Box 576,  	75123 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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