AMBER: PBS script for lemieux

From: Stern, Julie <jvstern.bnl.gov>
Date: Sun, 14 May 2006 19:09:30 -0400

Hello,
   I'm having trouble getting a pbs script to work for lemieux. Below are the
errors and the script. Can anyone offer any suggestions or share a working
PBS script? Is it possible it doesn't know which fortran to point to - they
were all in my path?
   Thanks for any help or suggestions.


inside directory
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred

% more run.pbs
#!/bin/csh
#PBS -N nos
#PBS -l walltime=12:00:00
#PBS -l rmsnodes=16:64
#PBS -j oe

cd /usr/users/0/jvstern/test
echo inside directory

prun -N ${RMS_NODES} -n ${RMS_PROCS} $AMBERHOME/exe/sander -O -i minimise.mdin -o minimise.mdout -p testmol.prmtop -c testmol.inpcrd -r minimise.rst





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Received on Wed May 17 2006 - 06:07:07 PDT
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