AMBER Archive (2006)

Subject: Re: AMBER: amber8 error installation

From: Mark Williamson (Mark.Williamson_at_imperial.ac.uk)
Date: Tue Mar 28 2006 - 10:08:46 CST

> so .. do i need to install byacc rpm and XFree86-devel
> rpm ???
>

I've very little experience with Rocks, but I *think* is built around
RHEL, hence the RPM packages will have the same names.

I'd recommend having a long chat with the person that runs the cluster;
getting sander to compile and work in parallel will be harder. Since you
are compiling using ifort, some fortran components of lam will need to
be compiled with ifort as well and be present on every node.

You may find the search tool at http://amber.ch.ic.ac.uk/archive/ useful
as well as this link:

http://amber.ch.ic.ac.uk/cluster_info/index.html

        with special attention to the "export FC=ifort" in the "Compiling
Amber8 with Intel compilers and LAM MPI" section.

regards,

Mark

http://dumb.ch.ic.ac.uk/~mjw99/
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