AMBER Archive (2005)

Subject: Re: AMBER: AMBER 8 compilation with lahey F95 !

From: Amber admin (amber-admin_at_scripps.edu)
Date: Mon Nov 07 2005 - 13:08:03 CST

There is a script for lahey in pmemd 8 (do a ./configure -help at
the pmemd level of the source tree and then you will have options to make a
script for pmemd). You can probably get an idea of what to do to make a
script compatible for the rest of amber from that. The Lahey f95
compiler is (or at least was a couple of years ago, and probably still is) a
very high quality compiler in terms of it being a full and correct
implementation of f95, and I very much liked it for development work.
Unfortunately, the code generated was not nearly as fast as that generated
by the intel fortran compiler, which is why I switched, and I have not
renewed my Lahey license. But aside from the speed issue, it is a really
nice compiler, and hopefully they have worked on the speed. As far as gcc
linkage goes, you should be able to deduce what you need to do from the
pmemd config.h. You may need to look at your new lahey doc to get the best
optimization options - I was running p3's and Athlons when I used this
stuff.
Regards - Bob Duke
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