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

From: David A Case <>
Date: Wed, 14 Jan 2015 07:31:46 -0500

On Wed, Jan 14, 2015, Khuong Truong Gia wrote:
> I am very new on Amber, and I have a question that need help.
> I installed Amber11 with CUDA-enabled (following this link:
> 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 ../ -o mdout -p ../ -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)).

What are the results of the test cases? Reporting results from those removes
the chance that there is some error in your input files.

Amber11 is five years old, which is forever in GPU terms. In particular, it
is earlier than any of the current NVIDIA toolkits or drivers. I'd strongly
recommend an update to Amber14.

...goodl luck....dac

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Received on Wed Jan 14 2015 - 05:00:04 PST
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