AMBER Archive (2008)

Subject: Re: AMBER: compilation problem

From: Atro Tossavainen (
Date: Sat Sep 27 2008 - 14:18:13 CDT

> I don't understand why you have prevented the configuration script from
> seeing g77.

Because it is my experience that whenever I compile something with
the GNU compilers on the platforms involved, whenever I upgrade the
compilers the programs compiled with the earlier version stop working
because the names of the support libraries have changed and I have to
play library symlink games to get things to link again (and sometimes
the programs will not only link correctly, but even work afterwards).
I prefer to avoid that, and I find that the easiest way to get binaries
that work correctly across compiler and OS upgrades is to use the
vendor compilers. There may also be a performance benefit involved,
but that's beside the point here.

> The problem is not that we like GNU compilers, it is that the (modified)
> mopac6 code we use was written a long time ago, and uses constructs that
> are not portable to most modern fortran compilers.

Fair enough.

> Note also that it is only the mopac part of AmberTools that is disabled
> now if you don't have g77 or gfortran. Most of the uses of AmberTools
> are not tied to fortran compilers.


> [It *is* true, however, that Amber is almost exclusively developed on
> GNU/Linux systems, and we have only limited access to more traditional
> UNIX environments. This will surely lead to porting problems from time
> to time to non-Linux environments.]

It's an all too common problem, I'm afraid, but of course I can see why.

Atro Tossavainen (Mr.)               / The Institute of Biotechnology at
Systems Analyst, Techno-Amish &     / the University of Helsinki, Finland,
+358-9-19158939  UNIX Dinosaur     / employs me, but my opinions are my own.
< URL : http : / / www . helsinki . fi / %7E atossava / > NO FILE ATTACHMENTS
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