Does this mean thai I can't recompile gromacs because I had used a binary package for installing gromacs. Isn't there any way in which I can compile gromacs, without having to install it again?
On Thu, 06 Nov 2008 Martin Höfling wrote : >You're probably not in a source directory. > >As you mentioned - you need an mpi-enabled version (linked vs your >installed MPI library). > >If you're unexperienced in compiling, check first if there are binary >packages (with mpi) for OS X. > >If not, here the roughly sketched steps: >- obtain the source (tar.gz or checkout via cvs) >- ./bootstrap (only when cvs version used) >- Configure via ./configure. The interesting options for you migth be: > --enable-mpi --program-suffix="_mpi" >- make mdrun >- make install (as superuser or specify a prefix for user installation >in ./configure) > >The gromacs website and wiki contains more information about the steps. > >Good luck > Martin >
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