System I/O error: Failed to lock: md.log. Already running simulation?
gromacs续跑出现报错
System I/O error: Failed to lock: md.log. Already running simulation?
这是前面前面任务非正常结束导致。nvidia-smi查看gpu上挂载的任务,若有,则杀掉
gromacs续跑出现报错
System I/O error: Failed to lock: md.log. Already running simulation?
这是前面前面任务非正常结束导致。nvidia-smi查看gpu上挂载的任务,若有,则杀掉