AMBER Archive (2007)

Subject: RE: AMBER: Problems with QMMM tests on Altix

From: Jarrod Smith (jarrod.smith_at_vanderbilt.edu)
Date: Fri Feb 23 2007 - 13:34:53 CST


On Thu, 22 Feb 2007, Ross Walker wrote:

> Hi Jarrod,
>
> > We are running SUSE 10 with propack 500r1. The source is
> > patched with the
> > latest bugfix.all and was compiled with ifort 9.1 20061105.
> > The config.h
> > I used came from:
>
> QMMM on Altix works fine with Intel ifort 8.1:
>
> Intel(R) Fortran Itanium(R) Compiler for Itanium(R)-based applications
> Version 8.1 Build 20050311 Package ID: l_fc_pc_8.1.025

Hi Ross,

Thanks for the info. I just tried 8.1.026 but unfortunately this compiler
won't run on our Linux install due to incompatibilities with the rest of
the (newer on our system) GNU toolchain...

113 thresher% icc /home/jsmith/src/helloworld.c
Command-line error: invalid GNU version number: 410

I think we're stuck - I can give you an account on our Altix with 9.1.040
if you're willing to give it a shot.

Thanks,

Jarrod
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