On Tue, Jan 29, 2013 at 4:39 PM, Susan Chacko <[email protected]> wrote:
> > Sorry for a newbie question -- I've built several versions of Gromacs in > the > past but am not very familiar with the new cmake build system. > > In older versions, the procedure was: > - build the single-threaded version > - then build the MPI version of mdrun only. No need to build the other > executables with MPI. > > Is this still how it should be done, or should one just build everything > once with MPI? > You can still follow this workflow if you need mdrun with real MPI to run on your hardware (i.e. multiple physical nodes with network connections between them). > Likewise, if I want a separate GPU version (only a few nodes on our > cluster have GPUs), do I build the whole tree separately with -DGMX_GPU=ON, > or just a GPU-enabled version of mdrun? > Only mdrun is GPU-aware, so that's all you'd need/want. I'll update the installation instructions accordingly. Thanks! Mark -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
