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各位老师打扰了，下边的slurm脚本orca计算单个节点可以运行，但是跨节点的时候总是一个节点在算，其他节点top都没有计算进程，如何简单的修改下边的slurm脚本可以跨节点运行呀？
#!/bin/bash
#
#SBATCH --nodes=3 # allocate 1 nodes for the job
#SBATCH --ntasks-per-node=3 # allocate 20 cores for the job
#SBATCH --time=72:00:00
#SBATCH -o output.%J.out # the file to write stdout for job
#SBATCH -e output.%J.err # the file to write stderr for job
#SBATCH --job-name=a.inp
input=a.inp
jobname=$(echo "${input%.*}")
# start
export PATH=$PATH:/home/guojd/openmpi313/bin
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/guojd/openmpi313/lib
export PATH=$PATH:/home/guojd/orca421
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/guojd/orca421
export RSH_COMMAND="ssh -x"
scratch="/tmp/$USER/$SLURM_JOB_ID"
if [ ! -d $scratch ]; then
mkdir -p $scratch
fi
export GAUSS_SCRDIR=$scratch
# run Gaussian 09
time /home/guojd/orca421/orca $input 2>&1 | tee $jobname.out
if [ -f $scratch/*.chk ]; then
cp $scratch/*.chk $SLURM_SUBMIT_DIR
fi
rm -rf $scratch
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发表于 Post on 2021-3-12 19:30:17
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楼主 Author