AMBER Archive (2004)

Subject: AMBER: Intel Fortran Compiler 8.0 / pmemd 3.1 warning

From: Robert Duke (rduke_at_nc.rr.com)
Date: Tue Jan 06 2004 - 14:20:44 CST

In order to minimize the grief to others, I'd like to warn pmemd users that
the new Intel fortran compiler (version 8, at least through the latest patch
(38)) has a bug in it that keeps it from successfully compiling pmemd 3.1.
We have checked this out, and it is purely an internal compiler error that
needs to be fixed by Intel. The compiler front end has been replaced, and
apparently not everything is quite right yet. So please continue to use ifc
7.x until this is fixed, which hopefully will be soon. Unfortunately, at
some point in the Redhat Linux release stream, you have to move to ifc 8, so
if you have one of the most current Redhat versions (Enterprise WS 3.0 for
sure, and I think Redhat 9, though I have not tested) you may have to wait
on the fix. I have confirmed that pmemd 3.1 uniprocessor code built with
static libraries on older systems with ifc 7 does seem to run fine on the
latest Redhat release, so that is one thing that can be done in the interim
if you are migrating to newer versions of Redhat Linux. I wll post a notice
when a patch fixing this problem is available from Intel. Thanks to David
Konerding for bringing this problem to my attention.
Regards - Bob Duke

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