[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
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