Re: [AMBER] Problems with the Amber-14 compilation with CUDA-5.5

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 01 May 2014 10:25:57 -0400

On Thu, 2014-05-01 at 18:06 +0400, James Starlight wrote:
> David,
>
>
> my $AMBERHOME/src/ consist of only link to config.h
>
> If I use
> ./configure gnu
> make install
> (or just run install.sh)

There is no install.sh script

> I install Amber without any problems (but makefile in ../src is still
> absent)

No, you install just AmberTools (pmemd and pmemd.amoeba will NOT be in
$AMBERHOME/bin).

> if I add -cuda flag to configure I've obtained above error.
> It looks like some bug rather my inability to do simplest tasks. In any
> case please provide me with step-by-step how I could compile gnu-based
> amber because I've followed each step of manual.

This is not a bug (it is not even an error). The only CUDA-accelerated
program is pmemd.cuda, which is part of Amber14. Every other type of
compile will at least build parts of AmberTools14.

To build pmemd.cuda, you MUST have obtained a copy of Amber14.tar.bz2
and you MUST untar it in the same place that you untarred
AmberTools14.tar.bz2. If you had done both of these, there would be
more than just "config.h" inside $AMBERHOME/src/.

Good luck,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu May 01 2014 - 07:30:06 PDT
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