[CP2K-user] [CP2K:20074] Compile CP2K with PLUMED using spack

Tieyuan Bian biantieyuan at gmail.com
Wed Mar 27 08:30:26 UTC 2024


Dear developers,

Recently I have used spack successfully installing cp2k 2023.2. My command 
is:
spack install cp2k at 2023.2 +elpa +libint +libxc +cosma +spglib +plumed 
%gcc at 13.2.0 ^openmpi at 5.0.2

After installation, cp2k runs well but running metadynamic jobs. The error 
messages showed that I did not compile plumed. 
 *******************************************************************************
 *   ___                                                                   
    *
 *  /   \                                                                   
   *
 * [ABORT]                                                                 
    *
 *  \___/  Requested to use plumed for metadynamics, but cp2k was not 
compiled *
 *    |                            with plumed support.                     
   *
 *  O/|                                                                     
   *
 * /| |                                                                     
   *
 * / \                                                     
 metadynamics.F:187 *
 *******************************************************************************

I am confused about this error. Where did I compile wrong? Hope you can 
help me.

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