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? 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? Thanks for any suggestions, Susan. -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
