You must be using an older version of Gromacs, because the version I'm looking at (git master) has nary a reference to the C++ bindings.
Since you say that Gromacs alone compiles fine, I suspect the problem is that Plumed uses the C++ bindings. The Plumed download site hosted by Google Docs (yuck!) is down/broken/in-redirect-hell so I can't verify this hypothesis right now. Jeff On Tue, Jul 9, 2013 at 8:44 AM, Jeff Squyres (jsquyres) <jsquy...@cisco.com> wrote: > If you care, the issue is that it looks like Gromacs is using the MPI C++ > bindings. You therefore need to use the MPI C++ wrapper compiler, mpic++ > (vs. mpicc, which is the MPI C wrapper compiler). > > > On Jul 9, 2013, at 9:41 AM, Tomek Wlodarski <tomek.wlodar...@gmail.com> wrote: > >> I used mpicc but when I switched in Makefile to mpic++ it compiled >> without errors. >> Thanks a lot! >> Best, >> >> tomek >> >> On Tue, Jul 9, 2013 at 2:31 PM, Jeff Squyres (jsquyres) >> <jsquy...@cisco.com> wrote: >>> I don't see all the info requested from that web page, but it looks like >>> OMPI built the C++ bindings ok. >>> >>> Did you use mpic++ to build Gromacs? >>> >>> >>> On Jul 9, 2013, at 9:20 AM, Tomek Wlodarski <tomek.wlodar...@gmail.com> >>> wrote: >>> >>>> So I am running OpenMPi1.6.3 (config.log attached) >>>> And I would like to install gromacs patched with plumed (scientific >>>> computing). Both uses openmpi. >>>> Gromacs alone compiles without errors (openMPI works). But when >>>> patched I got one mentioned before. >>>> I am sending config file for patched gromacs. >>>> If you need any other file I would be happy to provide. >>>> Thanks a lot! >>>> Best, >>>> >>>> tomek >>>> <config_gromacs.log.bz2><config_openmpi.log.bz2>_______________________________________________ >>>> users mailing list >>>> us...@open-mpi.org >>>> http://www.open-mpi.org/mailman/listinfo.cgi/users >>> >>> >>> -- >>> Jeff Squyres >>> jsquy...@cisco.com >>> For corporate legal information go to: >>> http://www.cisco.com/web/about/doing_business/legal/cri/ >>> >>> >>> _______________________________________________ >>> users mailing list >>> us...@open-mpi.org >>> http://www.open-mpi.org/mailman/listinfo.cgi/users >> _______________________________________________ >> users mailing list >> us...@open-mpi.org >> http://www.open-mpi.org/mailman/listinfo.cgi/users > > > -- > Jeff Squyres > jsquy...@cisco.com > For corporate legal information go to: > http://www.cisco.com/web/about/doing_business/legal/cri/ > > > _______________________________________________ > users mailing list > us...@open-mpi.org > http://www.open-mpi.org/mailman/listinfo.cgi/users -- Jeff Hammond jeff.scie...@gmail.com
