AMBER Archive (2008)

Subject: Re: AMBER: compiling ambertools with intel compilers

From: Alan (alanwilter_at_gmail.com)
Date: Thu Nov 20 2008 - 06:10:58 CST

Thanks David. Pretty clear.
Alan

On Thu, Nov 20, 2008 at 12:04, David A. Case <case_at_biomaps.rutgers.edu>wrote:

> On Thu, Nov 20, 2008, Alan wrote:
>
> >
> > ./configure_at icc
> >
> > Testing the C compiler:
> > icc -wd117,177,266,880,1011 -o testp testp.c
> > OK
> >
> > Testing the g77 compiler:
> > g77 -O2 -fno-automatic -finit-local-zero -o testp testp.f
> > OK
> >
> > ...
> >
> > Everything is fine, it's just curiosity about if the fortran part of
> > ambertools is still being compiled with g77 and if so why?
>
> We would prefer to have AmberTools not depend on fortran at all (just for
> simplicity) , but don't yet have any non-fortran version of mopac.
>
> The mopac code we do use is very old, and does not compile and run
> correctly
> with many modern compilers, including ifort. g77 and gfortran are the only
> ones known to work, athough it is possible that other compilers could be
> used.
>
> ...dac
>
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-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<

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