[gmx-users] mdrun's mpi version error
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:
>> I'm want to run a test on a MacOSX cluster and I have got this error
>> 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
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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