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howto:install_with_plumed [2015/03/09 09:05] ibethunehowto:install_with_plumed [2015/08/08 07:01] 109.146.220.55
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 ===== PLUMED 2.x ===== ===== PLUMED 2.x =====
  
-CP2K may be used with PLUMED version 2.x without requiring source code patches - the interface to PLUMED is already included in CP2K since revision 15100 (24-Feb-2015).  To build a version of CP2K with PLUMED 2 follow the instructions below:+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).  To build a version of CP2K with PLUMED 2 follow the instructions below:
  
   * Download the PLUMED library from [[http://www.plumed-code.org/get-it]], build and install following the instructions in the PLUMED documentation.   * Download the PLUMED library from [[http://www.plumed-code.org/get-it]], build and install following the instructions in the PLUMED documentation.
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 </code> </code>
  
-  * ''-D<nowiki>__</nowiki>PLUMED2'' should be added to your DFLAGS and ''-lz -ldl -lstdc++'' to your LIBS+  * ''-D<nowiki>__</nowiki>PLUMED2'' should be added to your DFLAGS and ''-lz -ldl -lstdc++'' to your LIBS variable 
 +<note> 
 +If using OpenMPI, you will also need to add ''-lmpi_cxx -lrt'' to LIBS 
 +</note>
  
-  * It is also possible to build PLUMED as a shared library, in which case instead of using ''EXTERNAL_OBJECTS'' simply add ''-lplumed'' to  the LDFLAGS above.+  * It is also possible to build PLUMED as a shared library, in which case instead of using ''EXTERNAL_OBJECTS'' simply add ''-lplumed'' to the LIBS above.
  
   * Finally, build the CP2K binaries as normal:   * Finally, build the CP2K binaries as normal:
howto/install_with_plumed.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1