<div dir="ltr">Iain:<div>it works now with CP2K 2.7, thanks a lot.<div><div>Zhiping On Saturday, August 8, 2015 at 3:04:19 PM UTC+8, IBethune wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Zhiping, PLUMED 2 support is not in CP2K 2.6, you will need to use the 2.7 development trunk version. I realise this was not clear from the howto page as later revisions exist in 2.6 due to back-ported bug fixes. I edited the page to make it clear to use CP2K 2.7. Also -D__PLUMED2 is the correct define. -D__PLUMED_CP2K will get you the PLUMED 1.3 interface (hence the undefined symbols that you found). Cheers - Iain Quoting Zhiping <<a href="javascript:" target="_blank" gdf-obfuscated-mailto="4HimKR8XAAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">xuz...@gmail.com</a>> on Fri, 7 Aug 2015 19:53:06 -0700 (PDT): > Dear developers: > > Here have found two problems during the compilation of CP2K (2.6.1, rev > 15284) with PLUMED2 (2.2b) support. > > 1. The compilation option -D__PLUMED2 should be changed to -D__PLUMED_CP2K > in the installation instruction page > (<a href="http://www.cp2k.org/howto:install_with_plumed" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww.cp2k.org%2Fhowto%3Ainstall_with_plumed\46sa\75D\46sntz\0751\46usg\75AFQjCNFd3P9qaVxVvT4GmDDzWK4Az31-jg';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww.cp2k.org%2Fhowto%3Ainstall_with_plumed\46sa\75D\46sntz\0751\46usg\75AFQjCNFd3P9qaVxVvT4GmDDzWK4Az31-jg';return true;">http://www.cp2k.org/howto:install_with_plumed</a>). > > 2. Errors were reported on undefined references to 'init_metadyn_' and > 'meta_force_calculation_' > although I found some tips on the addition '_' at the end of function names > from the Quantum Espresso user guide (calling C from Fortran - > <a href="http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node21.html" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww.quantum-espresso.org%2Fwp-content%2Fuploads%2FDoc%2Fpw_user_guide%2Fnode21.html\46sa\75D\46sntz\0751\46usg\75AFQjCNExYeHdfM59I1Y67540tUgsr-W-Ug';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fwww.quantum-espresso.org%2Fwp-content%2Fuploads%2FDoc%2Fpw_user_guide%2Fnode21.html\46sa\75D\46sntz\0751\46usg\75AFQjCNExYeHdfM59I1Y67540tUgsr-W-Ug';return true;">http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node21.html</a>), > I cannot locate the definition of functions INIT_METADYN and > META_FORCE_CALCULATION in either CP2K or PLUMED2 - these functions are > available in PLUMED 1.3. > > /home/xuzp/bin/packages/cp2k-2.6.1/lib/linux_gnu/popt/libcp2kmotion.a(md_run.o): > In function `__md_run_MOD_qs_mol_dyn_low': > > md_run.F:(.text+0x2407): undefined reference to `init_metadyn_' > > md_run.F:(.text+0x2a83): undefined reference to `init_metadyn_' > > /home/xuzp/bin/packages/cp2k-2.6.1/lib/linux_gnu/popt/libcp2kmain.a(metadynamics.o): > In function `__metadynamics_MOD_metadyn_integrator': > > metadynamics.F:(.text+0x9b49): undefined reference to > `meta_force_calculation_' > > collect2: error: ld returned 1 exit status > > Please help me to solve the issue #2. > > Thank you. > > Zhiping > > -- > You received this message because you are subscribed to the Google > Groups "cp2k" group. > To unsubscribe from this group and stop receiving emails from it, > send an email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="4HimKR8XAAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>. > To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="4HimKR8XAAAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. > Visit this group at <a href="http://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='http://groups.google.com/group/cp2k';return true;" onclick="this.href='http://groups.google.com/group/cp2k';return true;">http://groups.google.com/group/cp2k</a>. > For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. > -- The University of Edinburgh is a charitable body, registered in Scotland, with registration number SC005336. </blockquote></div></div></div></div>