[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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