lammps-GPU安装遇到的报错问题

四年级二班

已于 2023-11-23 16:47:13 修改

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文章标签： linux 运维服务器

于 2023-11-23 11:41:46 首次发布

本文链接：https://blog.csdn.net/weixin_43011746/article/details/134573122

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## 1.0 make -f Makefile.linux

报错：In file included from lal_device.h:19,
from lal_base_charge.h:20,
from lal_coul_long.h:19,
from lal_coul_long.cpp:24:
lal_atom.h:20:10: fatal error: mpi.h: No such file or directory
20 | #include "mpi.h"
| ^~~~~~~
compilation terminated.
make: *** [Nvidia.makefile:64: lal_coul_long.o] Error 1

解决方法：重新装驱动，

2.0 make: mpicxx: No such file or directory

解决方法：apt-get install mpich