Re: [AMBER] Compiler for Amber12 with GTX680

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 29 Nov 2012 08:37:32 -0500

On Thu, Nov 29, 2012 at 5:46 AM, kurisaki <
kurisaki.ncube.human.nagoya-u.ac.jp> wrote:

> Dear Amber developers and users,
>
> I'm now trying to set up Amber12 with GTX680.
> However, "make install" stopped with the following message:
>
> /usr/include/c++/4.4.6/x86_64-redhat-linux/bits/c++locale.h(89):
> error: argument of type "__va_list_tag *" is incompatible wi h parameter
> of
> type "char *"
>
> I am afraid that this error is due to INTEL COMPILER (ver. 10.1) we use.
>

Try using the GNU compilers for pmemd.cuda. Since all computations in
pmemd.cuda are done on the GPU, using the intel compilers provides
absolutely no performance boost compared to the GNU compilers, and the GNU
compilers actually tend to be a bit more stable at this point.

HTH,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Nov 29 2012 - 06:00:03 PST
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