Hi,
I'd like to ask a question concerning computational speed.
I'm running a simulation of 4000 beads chain, and the performance seems to me a bit slow since I'm able to calculate only around 7 millions steps a day.
The simulations are running in parallel on 12 cores which I found optimal.
May this speed be adequate? I did some time ago atomistic simulations of ~7,000 atoms and I was obtaining several nanoseconds a day.
Is there a way to compile Espresso for single precision or some tricks like that?
Kind regards,
Dudo
--
____________________
Ing. Dusan Racko, PhD