[AMBER] Fluctuation in GPU usage

From: Aravind R <aradrive1.gmail.com>
Date: Tue, 15 Jun 2021 23:04:45 +0530

Dear Amber Experts,
 I am using Amber(pmemd.cuda) in a cluster with 64 nodes, each containing 2
Nvidia Tesla K40m (not peer-to-peer connected). This is a shared cluster
across the institute. When amber runs in a single GPU with single core
separately it utilises 99% of GPU load and runs properly(attached
But when the gromacs job is submitted to the same node, the GPU utilisation
decreases drastically (attached Amber_&_gromacs.png) and thereby the speed
at which the job runs (attached Speed.png). Whereas gromacs jobs utilise
the GPU completely.
The script I use to submit the job attached herewith(Input_script.png)
along with top command results(Top_results.png).
Also, scheduler allows gromacs to run on the GPU when amber is already
running whereas not the vice-versa.
What is the reason for the decrease in GPU utilisation?
Thanks in advance,
Aravind R

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(image/png attachment: Amber___gromacs.png)

(image/png attachment: Input_script.png)

(image/png attachment: Speed.png)

(image/png attachment: Only_amber.png)

(image/png attachment: Top_results.png)

Received on Tue Jun 15 2021 - 11:00:02 PDT
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