NAMD on 24 threads

From: Asmi Mahmood (
Date: Mon Jul 27 2020 - 04:06:28 CDT

I need some help in optimizing my system efficiency for Simulation. Previously i was running NAMD on system with 4 processor on windows 10 and get 10 ns results in 10 days. Now as i have upgraded my system to dual processor each with  12 core and 12 threads (total 24 processor) with NVIDIA quadro fx 580 i was expecting a greater efficiency but still not getting desirable results as 10 ns is taking 5 days. It is to mention that i am using OS window 7 on my upgraded system and NAMD 2.13 multicore 64 bit..
what is reason of so low speed on 24 processors?
In addition, i am planing to upgrade OS to linux and wants use CUDA environment if can be done on my system. Please guide me with this GPU card can i use CUDA as it supports CUDA 1.1 (as in its specifications). If yes which NAMD version should i use.

Asma Tariq

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