AMBER Archive (2006)

Subject: Re: AMBER: Amber9 test error on SGI Altix

From: David A. Case (case_at_scripps.edu)
Date: Mon May 08 2006 - 13:45:30 CDT

On Mon, May 08, 2006, David A. Case wrote:
> On Mon, May 08, 2006, amit_at_mbu.iisc.ernet.in wrote:
>
> > compilation on SGI Altix using intel fortran compiler 9.0.031.
>
> We have used ifort version 9.0.021 and 9.0.026 on sgi_altix. It is possible
> but unlikely that 9.0.031 would introduce such serious problems.

OK: looks like I spoke too soon: according to Ross, version 9.0.031 for ia64
does have problems:

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First of all if you are trying to compile AMBER 9 on an IA64 machine using
version 9.0 of the Intel compilers up to and including:

F: Version 9.0 Build 20051201 Package ID: l_fc_c_9.0.031
C: Version 9.0 Build 20051201 Package ID: l_cc_c_9.0.030

You will have problems with Amber 9.
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So, the first thing to do is to follow Ross' advice, and not what I was
suggesting.

...regards...dac

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