Re: AMBER: Machine File for Intel Core 2 Duo E6400

From: Osmar Norberto de Souza <osmarns.inf.pucrs.br>
Date: Thu, 28 Sep 2006 16:22:15 -0300

Dear Ross,

        Thank you very much for your prompt response.

        We have successfully compiled the 32 bit version already. Will try the mpi version as you
suggested, but the best solution really is to upgrade to AMBER9.

        Many thanks again.

        Osmar

Laboratório de Bioinformática, Modelagem e Simulação de Biossistemas - LABIO
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Ross Walker wrote:

> 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
>
> /\
> \/
> |\oss Walker
>
> | HPC Consultant and Staff Scientist |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
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Received on Sun Oct 01 2006 - 06:07:13 PDT
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