Re: [AMBER] Cuda performance

From: Ross Walker <ross.rosswalker.co.uk>
Date: Sat, 16 Jun 2012 09:29:50 -0700

Hi Himanshu,

What does the mdout file show? - In particular the section at the beginning referring to the GPUs that are in use?

Also, what was your CUDA_VISIBLE_DEVICES set to, what does 'device_query' show and what did your command line look like? I also assume CPU runs in parallel work fine?

All the best
Ross

> -----Original Message-----
> From: HIMANSHU JOSHI [mailto:himanshuphy87.gmail.com]
> Sent: Saturday, June 16, 2012 3:26 AM
> To: AMBER Mailing List
> Subject: [AMBER] Cuda performance
>
> Hi Friends,
>
> We have just installed a GPU nvidia card ad using amber11 cuda
> version..
> I am running my simulation on 2 cards with PMEMD MPI version.
>
> Though it is using memory of both cards but giving 0 utility of second
> card
> ...
> I got bther output for gpu performance as
>
> $nvidia-smi
> Sat Jun 16 12:14:27 2012
> +-----------------------------
> -------------------------+
> | NVIDIA-SMI 3.295.49 Driver Version: 295.49
> |
> |-------------------------------+----------------------+---------------
> -------+
> | Nb. Name | Bus Id Disp. | Volatile ECC
> SB /
> DB |
> | Fan Temp Power Usage /Cap | Memory Usage | GPU Util.
> Compute
> M. |
> |===============================+======================+===============
> =======|
> | 0. Tesla M2090 | 0000:14:00.0 Off | 0
> 0 |
> | N/A N/A P0 86W / 225W | 19% 1043MB / 5375MB | 99%
> Default |
> |-------------------------------+----------------------+---------------
> -------|
> | 1. Tesla M2090 | 0000:15:00.0 Off | 0
> 0 |
> | N/A N/A P0 83W / 225W | 22% 1183MB / 5375MB | 0%
> Default |
> |-------------------------------+----------------------+---------------
> -------|
> | Compute processes: GPU
> Memory |
> | GPU PID Process name
> Usage |
> |======================================================================
> =======|
> | 0. 22970 /share/apps/amber11/bin/pmemd.cuda.mvapich2
> 1028MB |
> | 1. 22971 /share/apps/amber11/bin/pmemd.cuda.mvapich2
> 1167MB |
> +----------------------------------------------------------------------
> -------+
>
> Is it usual or some lacking from my side ????
> Please comment ....
>
>
> --
> *With Regards,
> HIMANSHU JOSHI
> Graduate Scholar, Center for Condense Matter Theory
> Department of Physics IISc.,Bangalore India 560012*
> ॐ सर्वे भवन्तु सुखिनः सर्वे सन्तु निरामयः।
> सर्वे भद्रणिपश्यन्तु मा कश्चिद्दुःख भाग भवेत्॥
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Received on Sat Jun 16 2012 - 09:30:02 PDT
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