Re: NAMD performance monitor

From: Vermaas, Joshua (
Date: Tue Jan 17 2017 - 10:47:33 CST

Hi Nikhil,

NAMD doesn't have the same sort of accounting that Gromacs does. Instead, I tend to just try a bunch of different combinations, and use grep to get "Benchmark" lines from the log file, which has days/ns as one of its outputs.


On 01/17/2017 05:49 AM, Nikhil Maroli wrote:
Dear all,

We are having a workstation with 3 x GTX 1070, 2 x 12 core processor and i have used the following command to execute the job

./namd2 +p46 +setcpuaffinity +devices 0,2,3 new.inp > log.log &

I was wondering is there any way to understand the performance details such as ns/day or the best combination of cpu-gpu. When i was working with Gromacs, at the end of the log file i could get the performance details based on that we can try different combinations of cpu-gpu to get better performance.

It will be helpfull if some one can suggest me how to find the best combination for better performance or the command to use for running job other than above mentioned.

Nikhil Maroli

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