[CP2K:6877] Compilation problem with PLUMED-2.2b

[Zhiping]

Iain:
it works now with CP2K 2.7, thanks a lot.
Zhiping

On Saturday, August 8, 2015 at 3:04:19 PM UTC+8, IBethune wrote:
>
> 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 <xuz... at gmail.com <javascript:>> 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 
> > (http://www.cp2k.org/howto:install_with_plumed). 
> > 
> > 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 - 
> > 
> http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node21.html), 
>
> > 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 cp2k+... at googlegroups.com <javascript:>. 
> > To post to this group, send email to cp... at googlegroups.com 
> <javascript:>. 
> > Visit this group at http://groups.google.com/group/cp2k. 
> > For more options, visit https://groups.google.com/d/optout. 
> > 
>
>
> -- 
> The University of Edinburgh is a charitable body, registered in 
> Scotland, with registration number SC005336. 
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150808/946c8e77/attachment.htm>