VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Fri Oct 23 2015 - 07:18:01 CDT

Can you explain why you are cross posting this "NAMD" question to both the "NAMD" and the "VMD" forum?
I already answered you on the namd list that you should disable hyper threading 1st if you have no idea what you are doing.

Norman Geist

-----Ursprüngliche Nachricht-----
Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im Auftrag von Nikhil Maroli
Gesendet: Freitag, 23. Oktober 2015 11:12
An: namd-l_at_ks.uiuc.edu; Vmd L <vmd-l_at_ks.uiuc.edu>
Betreff: vmd-l: GPU accelerated MD

Dear all,
i have 2 x Intel® E5-2650V2 Processor (8Core,2.6GHz,20M L3 Cache) (32
Threads) and One Tesla K20 GPU
which option will be faster for NAMD

1. CPU alone
2.CPU+GPU
3.GPU+CPU(by assigning lower threads)

i read somewhere if we give GPU+CPU it will slow down in case of particular
GPU ,so which is best option for me here? ()

Thanks in advance

PS:My benchmark in YASARA shows 29 out of 32 thread without GPU Runs faster=