[Top][All Lists]

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ESPResSo-users] speedy question

From: Dudo
Subject: [ESPResSo-users] speedy question
Date: Fri, 24 Apr 2015 15:47:58 +0200


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,

Ing. Dusan Racko, PhD
Polymer Institute of the Slovak Academy of Sciences
Dubravska cesta 3
845 41 Bratislava, Slovak Republic
tel: +421 2 3229 4321

reply via email to

[Prev in Thread] Current Thread [Next in Thread]