howto:install_with_plumed
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
howto:install_with_plumed [2015/08/08 07:01] – 109.146.220.55 | howto:install_with_plumed [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
---|---|---|---|
Line 1: | Line 1: | ||
====== How to Compile and Install CP2K with PLUMED ====== | ====== How to Compile and Install CP2K with PLUMED ====== | ||
- | CP2K supports the current (2.x) and previous (1.3) versions of PLUMED. | + | CP2K supports the current (2.x) versions of PLUMED. |
To use plumed, insert the following in the FREE_ENERGY section of a cp2k input file: | To use plumed, insert the following in the FREE_ENERGY section of a cp2k input file: | ||
Line 15: | Line 15: | ||
CP2K may be used with PLUMED version 2.x without requiring source code patches - the interface to PLUMED is already included in CP2K in version 2.7 (rev 15615 or later). | CP2K may be used with PLUMED version 2.x without requiring source code patches - the interface to PLUMED is already included in CP2K in version 2.7 (rev 15615 or later). | ||
- | * Download the PLUMED library from [[http:// | + | * Download the PLUMED library from [[http:// |
* Modify your CP2K arch file to include the following: | * Modify your CP2K arch file to include the following: | ||
Line 47: | Line 47: | ||
- | Get the latest | + | Get a version (between revisions |
< | < | ||
- | svn checkout svn://svn.code.sf.net/ | + | git clone https://github.com/cp2k/cp2k.git |
</ | </ | ||
howto/install_with_plumed.1439017312.txt.gz · Last modified: 2020/08/21 10:15 (external edit)