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标题: 在测试cp2k时能用ssmp版本不能用popt版本,想要知道应该如何正确使用popt版本 [打印本页]

作者
Author:
轻舟~    时间: 2025-1-24 15:43
标题: 在测试cp2k时能用ssmp版本不能用popt版本,想要知道应该如何正确使用popt版本
本帖最后由 轻舟~ 于 2025-1-24 15:44 编辑

我按照http://sobereva.com/586一文中的设置方法安装好了最新版的cp2k(2025.1版本),每个该改过来的的地方我都修改了,测试时发现可以使用cp2k.ssmp命令跑自己的模型,但是想用popt这条命令时却无法跑,这是为什么?该如何解决,附提示内容

[y@localhost vb]$ mpirun -np 52 cp2k.popt /home/y/cp2k/vb/yspl.inp|tee yspl.out
--------------------------------------------------------------------------
PMIx was unable to find a usable compression library
on the system. We will therefore be unable to compress
large data streams. This may result in longer-than-normal
startup times and larger memory footprints. We will
continue, but strongly recommend installing zlib or
a comparable compression library for better user experience.


You can suppress this warning by adding "pcompress_base_silence_warning=1"
to your PMIx MCA default parameter file, or by adding
"PMIX_MCA_pcompress_base_silence_warning=1" to your environment.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
prterun was unable to find the specified executable file, and therefore did
not launch the job.  This error was first reported for process rank
0; it may have occurred for other processes as well.


NOTE: A common cause for this error is misspelling a prterun command
   line parameter option (remember that prterun interprets the first
   unrecognized command line token as the executable).


   Node:       localhost
   Executable: cp2k.popt
--------------------------------------------------------------------------
[y@localhost vb]$




作者
Author:
Tenshi65535    时间: 2025-1-26 18:12
应该是安装的PMIx不支持zlib 包管理器直接按照二进制包可能有这个问题
PMIx was unable to find a usable compression library on the system #12070




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