AMBER Archive (2004)

Subject: Re: AMBER: IFC COMPILER

From: Robert Duke (rduke_at_email.unc.edu)
Date: Mon Feb 16 2004 - 07:18:03 CST

Obdulia -
The intel fortran 8 compiler is broken, and we are still awaiting a fix. In
work on Amber 8, I have managed to modify the pmemd source and get it to
compile, but there are still problems with the code actually generated. The
ifort (fortran 8) compiler on Itanium compilers builds a functioning pmemd,
so I presume the problem is with intel interfacing their old ifc IA32
compiler backend with the new Compaq frontend, and I presume they will get
it fixed real soon now. There may be other issues with multiprocessor code
on more recent releases of linux; so I don't know what the issues will be
there with Suse 8.0. From your mail though, I presume you are just trying
to get the uniprocessor version to run. Pmemd is currently more impacted
than sander by this stuff, since it makes full use of fortran 90
capabilities, and it seems that the new stuff is what the compiler
implemetors have problems with (the old stuff has been around for
practically 30 years, after all). I will let everyone know when there is a
patch available that fixes intel fortran 8, and in the meantime I am
recommending that you stick with intel fortran 7.1 if you can. The latest
update of 7.1 works with glibc 2.2.5 or 2.2.93 and the 2.4.X Linux kernel.
Earlier versions work with earlier releases of glibc, so check what Suse 8
uses before you upgrade ifc 7.1.
Regards - Bob Duke

----- Original Message -----
From: "Obdulia Rabal" <mrabal_at_iqs.es>
To: <amber_at_scripps.edu>
Sent: Monday, February 16, 2004 7:54 AM
Subject: AMBER: IFC COMPILER

>
> Dear all.
>
> I have tried to compile pmemd.src module in Suse 8.0 with intel fortran
> compiler 8.0 but
> it fails, as it has been reported by anybody before.
>
> Does anybody know how should I change the makefile file in order to get
it?
> Is there another compilation option for Suse 8.0?
>
> I would be very pleased if somebody could help me.
>
> Thanks in advance.
> Obdulia Rabal
>
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