CP2K 6.1 compile

Yingchun Zhang zhangyin... at 126.com
Tue Jun 26 04:18:31 UTC 2018


Hi, Alfio

Thanks for your comments.

Yes, version 17.0.1 is buggy. I ran into other errors compiling other 
packages. And I have to modify src/xc/xc_libxc_wrap.F file (!> to !) to 
install version 5.1.

But only this version of intel compiler was installed on our computing 
systems.

I will ask the admin of our computing center to install other versions if 
something strange happens.


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180625/e2b3f09d/attachment.htm>


More information about the CP2K-user mailing list