Hello Everyone,
I have to run Materials Studio in standalone mode because Materials Studio can't run on a a supercomputer that runs SLURM. I download the files from the supercomputer and update the structure using the geometry optimization files. It works for smaller k point meshes, but I think I need to use larger k point meshes to get my results to converge. These files are much bigger and the program stops working when I attempt to update the structure. Are there any settings that I could change to make this work better? Or do I need to upgrade my computer? And if I do, what should I upgrade? I've got 8 GB of RAM right now.
Additionally, does anyone have a good resource for command line CASTEP execution? I figure I can update the structure in the command line if need be.
Thanks,
Josh
I have to run Materials Studio in standalone mode because Materials Studio can't run on a a supercomputer that runs SLURM. I download the files from the supercomputer and update the structure using the geometry optimization files. It works for smaller k point meshes, but I think I need to use larger k point meshes to get my results to converge. These files are much bigger and the program stops working when I attempt to update the structure. Are there any settings that I could change to make this work better? Or do I need to upgrade my computer? And if I do, what should I upgrade? I've got 8 GB of RAM right now.
Additionally, does anyone have a good resource for command line CASTEP execution? I figure I can update the structure in the command line if need be.
Thanks,
Josh
