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vasp计算任务报错:M_divide:can not subdivide 8 nodes by 6
2022-07-29 02:38:00 【男孩李】
在slurm脚本里面跑vasp应用报错:

问题原因:
这个是k点设置问题,把核数设置成6的倍数。
Vasp计算核数一定要能被INCAR中NPAR设定的数整除。
打开算例文件的INCAR,可以看到我们设置的为6

解决方案
1.这是因为设置的cpu核数(slurm脚本中小n参数)不能被6整除。修改小n参数为12,32等,6的倍数,即可。

2.修改算例文件的INCAR中的NPAR参数,保证能被设置的核数整除。
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