Re: [AMBER] installing amber12 in GPU

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 01 Dec 2014 06:31:54 -0800

CUDA 5.0 is preferred for performance reasons so I would recommend this
over 5.5.


On 11/30/14, 11:30 PM, "Vijay Achari" <glycoamber.gmail.com> wrote:

>Thank you Jason. I try to install cuda 5.5. Update you once I tried.
>
>Best regards
>Vijay
>
>On Sat, Nov 29, 2014 at 7:31 AM, Jason Swails <jason.swails.gmail.com>
>wrote:
>
>> On Fri, Nov 28, 2014 at 8:49 AM, Vijay Achari <glycoamber.gmail.com>
>> wrote:
>>
>> > Dear Sir,
>> >
>> > I just installed Ubuntu 14.04 LTS in my desktop. I am using NVIDIA
>> GEFORCE
>> > GT 640 model graphic card.
>> >
>> > I have installed the NVIDIA driver (nvidia-340.58) and CUDA (cuda-6.5)
>> > successfully.
>> >
>>
>> ​You can try to edit the configure file and remove the fatal error that
>> occurs when CUDA 6.5 is detected. Even better, though, would be to
>>upgrade
>> to Amber 14 (where CUDA 6.5 is supported), or if you can't do that,
>> downgrade CUDA to 5.0 or 5.5 to be compatible with Amber 12. I can't
>> guarantee that the only thing preventing Amber 12 from working with CUDA
>> 6.5 is the error message in configure... you will just have to check
>>that
>> it continues to compile and most of the tests pass.
>>
>> HTH,
>> Jason
>>
>> --
>> Jason M. Swails
>> BioMaPS,
>> Rutgers University
>> Postdoctoral Researcher
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>>
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Received on Mon Dec 01 2014 - 07:00:02 PST
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