Re: [AMBER] amber7 vs xleap on 64bit machine

From: case <case.biomaps.rutgers.edu>
Date: Wed, 8 Sep 2010 16:31:57 -0400

On Wed, Sep 08, 2010, Rossella Noschese wrote:

> when I typed gfortran --version this was the output
> GNU Fortran 95 (GCC 4.0.0 20050519 (Red Hat 4.0.0-8))

I think you will have to upgrade the compiler. GCC version 4.0.0 was the very
first of the series that supported gfortran. As the date shows, it is more
than 5 years old, and there were many bugs in early versions of gfortran.
Version 4.1.2 is probably the very earliest that you should consider, and even
that will not work correctly on some parts of Amber (but I think is OK for
AmberTools(?)). Going to version 4.4.x would be even more desirable.

....dac


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Received on Wed Sep 08 2010 - 14:00:04 PDT
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