Re: [AMBER] Compiler for Amber12 with GTX680

From: kurisaki <kurisaki.ncube.human.nagoya-u.ac.jp>
Date: Thu, 29 Nov 2012 22:58:05 +0900

Dear Jason,

Thank you for your advice.
I will try it.

Yours sincerely
                      IK

-----Original Message-----
From: Jason Swails [mailto:jason.swails.gmail.com]
Sent: Thursday, November 29, 2012 10:38 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Compiler for Amber12 with GTX680

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 - 06:00:05 PST
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