Thank you Luca, I will be testing that right now. Grazie mille, Marcelo. On Wed, Dec 11, 2019 at 5:04 PM Marsella Luca <[email protected]> wrote:
> Hi Marcelo, > > > > The issue that you encounter might also be unrelated to the EasyBuild > recipe that you use. Would you like to try a different recipe for testing? > > For instance, we deploy CP2K on the Cray XC50 at CSCS with custom > EasyBuild recipes, that you can find in the mirror below: > > > https://github.com/easybuilders/CSCS/tree/master/easybuild/easyconfigs/c/CP2K > > The CP2K recipes that we use rely on the EasyBuild toolchain “CrayGNU”, > based on the MPI library “cray-mpich” (default in the Cray XC50). > > > > Best regards, > > Luca > > > > -- > > Luca Marsella, PhD > > CSCS Swiss National Supercomputing Centre > > Via Trevano 131 > > CH-6900 Lugano > > Switzerland > > > > *From: *<[email protected]> on behalf of Marcelo Carignano > <[email protected]> > *Reply-To: *"[email protected]" <[email protected]> > *Date: *Wednesday, 11 December 2019 at 14:28 > *To: *"[email protected]" <[email protected]> > *Subject: *[easybuild] CP2K/6.1-foss-2019a stalls > > > > Hello, > > I have installed CP2K/6.1-foss-2019a on a Cray XC50. > > No errors reported. > > Then I proceed to test it by submitting one of my jobs. > > The run starts with no problem, but after a time (that depends on each > test) the program stalls. It doesn't get killed, it just stops writing the > output. > > I use the slurm scheduler installed in the computer, and in the script I > load the corresponding module. > > > > Is anyone familiar with this type of problems? > > Maybe there is something wrong that I am missing, but cannot imagine what, > especially because the programs actually starts running. The job is a > molecular dynamics, it goes 10, or up to 50 MD steps before it stalls. > > > > Thanks, > > Marcelo >
