[gmx-users] mdrun's mpi version error
Tivadar Orban
t.orban at csuohio.edu
Sat Oct 26 20:02:51 CEST 2002
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/...
and for all accounts (the same useid) from different nodes the .cshrc
file contains the same path to mpirun and mdrun.
>
> --
> 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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