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

hut... at chem.uzh.ch hut... at chem.uzh.ch
Tue Sep 2 13:27:18 CEST 2014


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
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
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-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: Kaneta Yuske 
Sent by: cp... at googlegroups.com
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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