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<p>you have to create a file (bhost.def) which "tells" lammpi on which
nodes you wish to run, e.g.:</p>
<p>132.64.65.123 user1<br>
132.64.65.123 user1</p>
<p>to run lammpi write</p>
<p>>lammpi -v bhost.def</p>
<p><br>
</p>
<p>* You can run lammpi only from a computer which will be include in
the cluster.</p>
<p>* Each user might have only one lammpi process at a time (every
lammpi process might run any number of subprocess).<br>
</p>
<p><br>
</p>
<p>Lianqing Zheng wrote:<br>
</p>
<blockquote
cite="midPine.SOL.3.96.1041119165945.22036C-100000@isaac.me.rochester.edu"
type="cite">
<pre wrap="">Dear GMX-pals,
We have a linux cluster (36 nodes and each node with duel CUP) and I'm
wondering how to do to let gromacs run on given nodes, say 21 to 24. I
tried the following commands:
grompp -f water.mdp -p water.top -c spc216.gro -o water.tpr -np 4
mpirun n21-24 /home/lzheng/gromacs-3.2.1/i686-pc-linux-gnu/bin/mdrun -s
water.tpr -o water.trr -c water_out.gro -v -g water.log -np 4
But it didn't work, giving an error like:
Fatal error: run input file water.tpr was made for 4 nodes,
while mdrun expected it to be for 1 nodes.
[0] MPI Abort by user Aborting program !
[0] Aborting program!
How to solve this problem? Thank you very much!
Lianqing
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</pre>
</blockquote>
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