AMBER Archive (2004)

Subject: Re: AMBER: INtel Fortran 90 compiler

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Wed Mar 24 2004 - 15:37:37 CST

Hi,

On Wed, 24 Mar 2004, Carsten Detering wrote:

> Is there an easier way to obtain and use a fortran 90 compiler that the
> Intel one?
> I am installing Amber8.

Evaluation, ie, free, versions of Intel Software Development Products are
available including a non-commercial and unsupported Fortran 90 compiler.

http://developer.intel.com/software/products/global/eval.htm

Apparently, only version 8 can be obtained now.
As indicated by the KNOWN_PROBLEMS file in the Amber8 root directory
pmemd cannot be built with ifort (in version 7 the Fortran 90 compiler
was named ifc; in version 8 its name is ifort). ifc can be used to build
all of Amber8.

The g95, the GNU Fortran 95 compiler, project bifurcated in January 2003:
http://g95.sourceforge.net/
http://gcc.gnu.org/fortran/
The former is progressing slowly; the latter seems to have stalled in
October 2003.
It is doubtful that either can be used to build Amber8, but I have not tried.

There are many commercial Fortran compilers.
We have fully tested the Portland Group Compilers with Amber8.
Dave Case and Bob Duke have used the Lahey Fortran compilers
(see src/pmemd/README).
I shall update the Amber8 benchmark page:

loyd 3/04 2.4 Ghz PIV Xeon RH 9 ifort8 1 86
redfish 3/04 2.4 Ghz PIV Xeon RH 7.3 pgf90 5.1 1 74

bohr 3/04 2.0 Ghz PIV Xeon RH 7.3 ifc7.1 1 70
bohr 3/04 2.0 Ghz PIV Xeon RH 7.3 pgf90 5.1 1 65
bohr 2/04 2.0 Ghz PIV Xeon RH 7.3 lf95 1 63

Scott Brozell

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