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

From: James Starlight <jmsstarlight.gmail.com>
Date: Sat, 3 May 2014 11:10:44 +0400

Thanks, Jason!


James


2014-05-01 18:25 GMT+04:00 Jason Swails <jason.swails.gmail.com>:

> 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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>
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Received on Sat May 03 2014 - 00:30:02 PDT
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