[CP2K:5616] Compiling-with-plumed option disappeared in trunk version?

Kaneta Yuske smithfie... at gmail.com
Thu Oct 9 11:09:43 UTC 2014


Hi Juerg,

Thank you very much for solving this problem.
Now Ralph announced that PLUMED is available for trunk, so I'd like to 
close this session.
https://groups.google.com/forum/#!topic/cp2k/UzBf-gvyfYg

Yuske

On Tuesday, 2 September 2014 20:27:23 UTC+9, jgh wrote:
>
> Hi 
>
> we are looking into this problem. 
>
> regards 
>
> Juerg 
> -------------------------------------------------------------- 
> Juerg Hutter                         Phone : ++41 44 635 4491 
> Institut für Chemie C                FAX   : ++41 44 635 6838 
> Universität Zürich                   E-mail: hut... at chem.uzh.ch 
> <javascript:> 
> Winterthurerstrasse 190 
> CH-8057 Zürich, Switzerland 
> --------------------------------------------------------------- 
>
> -----cp... at googlegroups.com <javascript:> wrote: ----- 
> To: cp... at googlegroups.com <javascript:> 
> From: Kaneta Yuske 
> Sent by: cp... at googlegroups.com <javascript:> 
> Date: 08/26/2014 03:23PM 
> Subject: [CP2K:5616] Compiling-with-plumed option disappeared in trunk 
> version? 
>
> Dear CP2K developers, 
>
> Due to major upgrade in my cluster computers, I needed to run calculation 
> with the trunk version of CP2K. 
> (Cholesky error prevented me to run with the fastest number of nodes, when 
> I recompiled CP2K 2.5.1. 
> Thus, I had to reduce the number of nodes or try a trunk version.) 
>
> Everything ok about compiling and calculations, including regtests. 
> However, compiling-with-plumed seems to be disappeared when the new 
> makefile was introduced in revision 13688. 
> http://sourceforge.net/p/cp2k/code/13688/ 
>
> I'm not sure whether I can edit the Makefile since its structure looks 
> quite different from 2.5.1 
> Can I still compile with plumed by editing the Makefile, or further 
> modification will be necessary to compile together? 
>
> Thank you in advance! 
>
> Yuske Kaneta   
>   -- 
>  You received this message because you are subscribed to the Google Groups 
> "cp2k" group. 
>  To unsubscribe from this group and stop receiving emails from it, send an 
> email to cp2k+... at googlegroups.com <javascript:>. 
>  To post to this group, send email to cp... at googlegroups.com <javascript:>. 
>
>  Visit this group at http://groups.google.com/group/cp2k. 
>  For more options, visit https://groups.google.com/d/optout. 
>   
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141009/74ae0b74/attachment.htm>


More information about the CP2K-user mailing list