Thanks for the info! Our cluster is somewhat heterogenous, with some 32-core GigE-connected nodes, some older 8-core Infiniband-connected nodes, and some GPU nodes. So we need pretty much every variation of mdrun :-).
On Jan 29, 2013, at 11:00 AM, Mark Abraham wrote: > 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 Susan Chacko Helix/Biowulf Staff -- 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
