From: Bill Snapko <>
Date: Thu, 23 Jun 2011 11:12:55 -0500


Is there an update to AMBER v11 for CUDA 4.0 at this time to address this issue? I also saw a message from Scott Le Grand about this subject on March 8th pertaining to a new release of the 4.0 toolkit.

I am using Red Hat EL v5.5 and the CUDA Toolkit 4.0.17 released in May.

Thank you for your help.

From: Ross Walker []
Sent: Monday, March 07, 2011 10:53 PM
To: 'AMBER Mailing List'
Subject: Re: [AMBER] CUDA 4.0 RC

Hi Filip,

> I tried to compile the serial Cuda version of Amber11 by the new CUDA
> but obtained a lot of errors (see below). I started from clear copy. Any
> Does someone tried this Cuda version and actually what we can expect in
> reality? Ok, it is supposed to increase the speed of parallel GPUs
> (virtual memory address space, avoiding system RAM, modified MPI
> implementations and so on) thus it will be helpful to have some ideas
> Cuda 4.0 and Amber.
> Regards,
> Filip
> P.S. Probably I have to address this to NVidia forum too?

Please wait for an update to the AMBER CUDA code before using CUDA 4.0. We
have an internal version we are testing right now that is designed to use
the new features of 4.0. I would also STRONGLY recommend waiting for the
final release of 4.0.

All the best

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| Adjunct Assistant Professor |
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| University of California San Diego |
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Received on Thu Jun 23 2011 - 09:30:03 PDT
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