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.
