Work with your condor people to recompile gromacs against MPI on their system, if that is not already the case. It's probably helpful to specify +ParallelShutdownPolicy = "WAIT_FOR_ALL" in the condor submission file... See http://www.cs.wisc.edu/condor/manual/v7.6/2_9Parallel_Applications.html Section 2.9.4...
HTH On 2011-04-27 06:08:54AM -0500, Natalie Stephenson wrote: > Hi, > > I was wondering if anyone new a way to run mdrun commands through a condor > system. I've been told by the people that run our system that unless I can > split it into seperate threads then I would not be able to run it as a job, > because it would just get stopped in the morning - which from what I've seen > would just end my simulation and I would have to start again. > > Currently my simulations are taking around a month - which as I'm nearing the > end of this project is getting quite frustrating as you can imagine. Any > ideas on how I can speed this without buying a new computer (which is an idea > I've had veeto'd from my supervisor many many times!) would be much > appreciated!!! > > Thanks > Natalie -- =============================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | BEC 257 Genetics, Div. of Research | 1150 10th Avenue South p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | =============================================================== -- 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
