Submit jobs on cluster

[Tien Phan]

Hi,

I just wonder how many cpu cores are sufficient to go with a single GPU (GTX 1080Ti) when submitting jobs on a cluster. Any difference in performance if I submit a job with 1 core + 1 GPU and a job with 4 cores (or more) + 1 GPU?


Thank you in advance,


Tien

[Peter Eastman]

One CPU core per GPU is mostly fine. There are a few places where the CUDA platform uses multiple threads to improve speed, but unless you're doing something unusual the impact is fairly minor.

[Tien Phan]

Thanks. That saves a lot cpus.
BTW, how much memory is enough for one CPU? Does it depend on the system of interest?

[Peter Eastman]

Yes, the memory is roughly linear in the number of atoms in the system.

[Tien Phan]

Thanks. It helps me a lot.