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/
