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标题: ORCA安装进行测试时报错libmpi.so.20: cannot open shared object file [打印本页]

作者
Author:
mars936    时间: 2020-4-11 22:14
标题: ORCA安装进行测试时报错libmpi.so.20: cannot open shared object file
按照sob老师的方法,安装完ORCA,进行测试时报错
[ydz@localhost test]$ orca test.inp > test.out
/home/ydz/orca/orca_gtoint_mpi: error while loading shared libraries: libmpi.so.20: cannot open shared object file: No such file or directory
/home/ydz/orca/orca_gtoint_mpi: error while loading shared libraries: libmpi.so.20: cannot open shared object file: No such file or directory
/home/ydz/orca/orca_gtoint_mpi: error while loading shared libraries: libmpi.so.20: cannot open shared object file: No such file or directory
/home/ydz/orca/orca_gtoint_mpi: error while loading shared libraries: libmpi.so.20: cannot open shared object file: No such file or directory
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
[file orca_tools/qcmsg.cpp, line 458]:
  .... aborting the run



我找了一下,openmpi下确实没有libmpi.so.20,但是有个文件是libmpi.so.40.20.3,我把该文件重命名为libmpi.so.20后,运行正常了,想请教一下,不知这个做法是否可行。

作者
Author:
sobereva    时间: 2020-4-11 22:17
如置顶的新社员必读贴和论坛首页的公告栏所示,求助帖必须在帖子标题明确体现出此帖内容是求助或提问,并反映出帖子具体内容,仔细看http://bbs.keinsci.com/thread-9348-1-1.html。我已把你的严重不恰当标题“ORCA安装”改了,以后务必注意
作者
Author:
sobereva    时间: 2020-4-11 22:19
OpenMPI版本问题
能正常用就没事
作者
Author:
mars936    时间: 2020-4-12 10:08
好的,谢谢sob老师




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