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| # 拷贝高通量运行 | |
| mkdir str && find ./ -type f | xargs -I {} mv {} str ; cp ~/BIGDATA/jsy/scripts/batch_files/slurm.sh ./ && yhbatch -n 24 -N 1 -p paratera slurm.sh | |
| # 查找当前文件夹下一层内所有文件夹 | |
| DIRS=$(find ./ -maxdepth 1 -type d -name "vasp_tmp*") | |
| # 拷贝并按ID重命名 | |
| for dir in $FILES; do suffix=$(echo $dir | awk -F'_' '{print $3}'); cp $dir/relax/CONTCAR.relax.gz relaxed/POSCAR_$suffix.gz; done |
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