AMBER Archive (2008)

Subject: Re: AMBER: MKL libraries/Amber10

From: David A. Case (case_at_scripps.edu)
Date: Fri May 16 2008 - 15:27:40 CDT

On Fri, May 16, 2008, Francesco Pietra wrote:

>
> Before performing tests, may I ask why during the compilation both g++ and
> g77 were used. In particular about g77, should I have indicated ifort as
> compiler (as I'll do for Amber10 and openmpi)? I was unable to see an option
> for ifort in place of g77 for the above compilation.

The mopac code does not seem to work with any compilers except g77 and
gfortran. It is slated for removal, so I don't think there is any motivation
for anyone to try to port to other compilers (which I think would be
difficult). Furthermore, for the purposes mopac is mostly used for here (to
help get am1-bcc charges) there is no need for more optimization.

...dac

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