AMBER Archive (2008)

Subject: Re: AMBER: Compiler issues with Altix450

From: Atro Tossavainen (
Date: Sat Mar 08 2008 - 16:19:36 CST

> I am presently trying to install AMBER 9 on an SGI Altix 450 cluster but am having difficulty. Do you have a good recommedation for a compiler which works well with this system.

The Intel compilers, obviously. It would be extremely strange if you
had an Altix system with no access to the Intel compilers.

> It appears from the installation instructions that a g95 compiler is
> recommended.

Huh... which instructions are you reading?

You should try this first:

./configure nopar sgi_altix

This sets you up for a serial version on the Altix, then when you're
OK that it works,

./configure mpi sgi_altix

sets up the parallel version.

> I have also tried an ifort compiler which works for the smaller programs but not sander (an error appears regarding a program "icc" which I am not familiar with and was not installed with our cluster).

icc is the Intel C compiler. If it isn't installed, your Altix
installation is seriously FUBAR.

Atro Tossavainen (Mr.)               / The Institute of Biotechnology at
Systems Analyst, Techno-Amish &     / the University of Helsinki, Finland,
+358-9-19158939  UNIX Dinosaur     / employs me, but my opinions are my own.
< URL : http : / / www . helsinki . fi / %7E atossava / > NO FILE ATTACHMENTS
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