AMBER Archive (2008)

Subject: AMBER: Compiler issues with Altix450

From: finke_at_oakland.edu
Date: Sat Mar 08 2008 - 12:37:25 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.
>
> It appears from the installation instructions that a g95 compiler is recommended. I have used a g95 compiler downloaded from www.g95.org to install AMBER 9 on my desktop PC running RedHat. (this was after trying many other g95 compilers from the www.g95.org website which did not work) However, this compiler did not work with our SGI ALtix cluster.
>
> 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).
>
> In any case, to avoid a long series of trial and error moves, I was wondering if you had any suggestions (such as a compiler specific to the Altix system) to get the software to compile.
>
> Thanks,
>
> John Finke
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