AMBER Archive (2006)

Subject: RE: AMBER: Machine File for Intel Core 2 Duo E6400

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Sep 28 2006 - 14:05:02 CDT

Dear Omar,

> What Machine File should I use to compile (64 bits)
> AMBER7.0 in an Intel Core 2 Duo E6400 Linux Box
> (Fedora Core 5 X86-64)?

This will likely take considerable hacking to get to work. Amber 7 was
written long before these types of machines were available. You should
seriously consider upgrading to amber9 which has been tested on x86_64
architectures.

If you want to proceed with amber 7 then I suggest you try to force a 32 bit
compilation. You can start with the Machine.g77 file. Do you have g77
installed on your machine? If not you should probably look to get it. You
could try g95 but again you will have to hack the Machine file to find out
what works.

I would take the Machine.g77 file and add -m32 after each g77 instance. This
will force 32 bit compilation.

You can then try making it an see what happens. Just make sure you run all
the test cases...

If you want to use both cores in parallel then you will need to build an mpi
version. You could try Machine.g77_lam-mpi with similar changes to what you
needed in the serial version.

All the best
Ross

/\
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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
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