[AMBER] Amber11: CUDA-enabled version does not work

From: Khuong Truong Gia <khuongtg.gmail.com>
Date: Wed, 14 Jan 2015 15:02:50 +0900

Hi all,

I am very new on Amber, and I have a question that need help.
I installed Amber11 with CUDA-enabled (following this link:
http://jswails.wikidot.com/installing-amber11-and-ambertools-1-5) on my PC.
My PC's VGA is GTX580.
I installed NVIDIA driver: NVIDIA-Linux-x86_64-340.58.
I have tried with 2 CUDA toolkits (ver6.5 and ver5.0).
When I run pmemd.cuda:
pmemd.cuda -O -i ../md.in -o mdout -p ../wat.top -c eq.rst -r md.rst -x
md.mdcrd -inf md.inf

I saw that it run but there is no output file is updated (after a long time
(longest time is more than a day)).

My question is that can I run pmemd.cuda on my PC, what CUDA driver and
toolkit should I install. Or is there any mistake of my input files?
If you guys need content of files or more information, I will send it to

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Received on Tue Jan 13 2015 - 22:30:03 PST
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