Re: [AMBER-Developers] finding intel libs

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 18 Jan 2013 08:57:05 -0500

On Fri, Jan 18, 2013 at 8:45 AM, Josh Berryman <
the.real.josh.berryman.gmail.com> wrote:

> You're right... the regexp is unneccessary, in that all that stuff is
> on-path anyway for my (and probably all sane) installations of the intel
> compiler suite.
>
> >mpicc -show:
> icc -ldl -ldl -ldl -ldl -I/opt/apps/easybuild/software/impi/
> 4.0.2.003/intel64/include -L/opt/apps/easybuild/software/impi/
> 4.0.2.003/intel64/lib ... etc etc etc
>
> That doesn't mean it isn't broken (and breaking other things) as well
> though.... so therefore the conclusion is just to get rid of that section
> of the config file, or to replace it with a check to see if the libs are
> on-path.
>

Serial installations don't use mpicc, so if the libraries would still have
to be exposed by LD_LIBRARY_PATH for a serial installation to work (which
is where the C compiler will be most useful, since most C codes in Amber
are serial-only). With ifort and icc installed in separate places, I'm
guessing two sets of Intel scripts need to be sourced, yes?

--Jason


>
> Josh
>
>
>
>
>
>
>
> On 18 January 2013 13:46, Jason Swails <jason.swails.gmail.com> wrote:
>
> > On Fri, Jan 18, 2013 at 5:27 AM, Josh Berryman <
> > the.real.josh.berryman.gmail.com> wrote:
> >
> > > Hello, just a suggestion, I find that the regexp in
> > > AmberTools/src/configure2:
> > >
> > > fl=`which ifort | sed -e 's.\(.*\)bin@\1lib@' -e 's.ifort@@'`
> > >
> > > ...doesn't find the intel libraries on the cluster I'm using just now.
> > The
> > > admins have put ifort and the associated libs in:
> > >
> > > /opt/apps/easybuild/software/ifort/2011.6.233/bin/intel64/ifort
> > > /opt/apps/easybuild/software/ifort/2011.6.233/compiler/lib/intel64/
> > >
> > > which seems reasonable enough, but breaks the regexp in two different
> > > ways.
> > >
> > > This two-line approach works for me, does anyone with more experience
> of
> > > this sort of thing see a reason not to commit it onto the main branch?
> > >
> > > ifhome=`which ifort | sed 's.\(.*\)bin\/.*@\1@'`
> > > fl=`find $ifhome -name libifcore.a | sed 's.\/libifcore.a@@'`
> > >
> >
> > I'm not sure why this was all necessary in the first place... Have you
> > sourced the scripts that set up your environment for the Intel compilers?
> > Something like this:
> >
> > . /opt/apps/easybuild/software/ifort/2011.6.233/bin/compilervars.sh
> > intel64
> >
> > or something to that effect. The problem if you _don't_ source those
> > scripts is that unless you link statically, you'll need to set
> > LD_LIBRARY_PATH to point to those libs anyway, yes? And what about icc
> in
> > your system? Is that in a different place?
> >
> >
> >
> > >
> > > Josh
> > > _______________________________________________
> > > AMBER-Developers mailing list
> > > AMBER-Developers.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber-developers
> > >
> >
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri Jan 18 2013 - 06:00:06 PST
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