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/gist:30e5f15373dd116dda41 Secret

Created October 29, 2015 00:01
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gistfile1.txt
#!/bin/bash
#PBS -N GPUtest
#PBS -q gpu
#PBS -l nodes=2:ppn=4 -n
#PBS -j oe
#PBS -m abe
#PBS -M Parker.deWaal@vai.org
cd $PBS_O_WORKDIR
export PATH=$PATH:/home/parker.dewaal/applications/GPUmpi/bin
list=`cat $PBS_NODEFILE|uniq`;for item in $list; do echo 10.152.220.$((`echo $item |sed -e 's/node//g;s/^0*//g'` +20));done >nodes
grompp_mpi -f prod.mdp -c ../npt/npt.gro -p topol -o prod1
mpirun -f nodes -np 8 mdrun_mpi -deffnm prod1 -pin on -gpu_id 0123
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