[gmx-users] GROMACS- suggestion for GPU buying

malkeet singh Bahia msbahia17 at gmail.com
Tue Jul 10 16:11:26 CEST 2018

Hello Developers!
Hope you are doing well!

We are interested in buying new GPU card for simulating relatively big
protein systems (more than 300K atoms) using GROMACS latest version.
Currently, we have one P100 card (with 16 "real" cpu cores) that provides a
good speed of around 10 ns/day for that system size.
We were wondering if there is any recommendation/experience with other
cards that will speed up the simulation time. Specifically, V100 PCIE,
TITAN-V ,or GTX-1080TI.

Many thanks,

Thanks & Warm Regards

Malkeet S. Bahia, PhD
Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz
PBC Indo-Israel Post-doc fellowship
Dept. of Chemistry, Building 211, Room no. 211
Bar Ilan University,  Ramat Gan, 5290002,  ISRAEL

Mobile: +91-9815988501 (India, watts app only)
+972-584553434 (Israel number)

More information about the gromacs.org_gmx-users mailing list