for d in $(ls | grep ENCUT); do cd $d ; mpirun -np 2 vasp_std ; cd .. ; done
时间: 2024-05-28 08:15:26 浏览: 92
windows下的dd和grep命令工具
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This is a command used to run VASP (Vienna Ab initio Simulation Package) calculations in multiple directories.
Explanation:
- `for d in $(ls | grep ENCUT)` - This line loops through all directories in the current directory that contain the string "ENCUT" in their name.
- `do cd $d` - This line changes the current directory to the directory being looped over.
- `mpirun -np 2 vasp_std` - This line runs the VASP calculation using two processors with the standard VASP executable.
- `cd ..` - This line changes the current directory back to the parent directory.
- `done` - This line ends the loop.
So, in summary, the command runs VASP calculations in all directories that contain the string "ENCUT" in their name, using two processors for each calculation.
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