AMBER Archive (2004)

Subject: Re: AMBER: INtel Fortran 90 compiler

From: Robert Duke (rduke_at_email.unc.edu)
Date: Wed Mar 24 2004 - 16:01:54 CST

Scott -
You can still get ifc 7.1.033 through 7.1.040, but you may have to dink
around a bit with the downloads buttons on the intel premier support page to
see everything. You can also still get ifc 6 (listed as the full support
compiler, but it is all the same stuff; the difference in support is how
intel responds to any grief you might want to throw their way - really slow
vs. really really really slow), and that may be necessary for folks on
redhat 7.2 and earlier (I need to check out 7.1.033 on redhat 7.2; ifc
7.1.038 will tell you it is not supported, so I have not gone further with
it).
Regards - Bob
----- Original Message -----
From: "Scott Brozell" <sbrozell_at_scripps.edu>
To: <amber_at_scripps.edu>
Sent: Wednesday, March 24, 2004 4:37 PM
Subject: Re: AMBER: INtel Fortran 90 compiler

> 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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