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
----------------------------------------------------------------------------
Osmar NORBERTO DE SOUZA, PhD |
LABIO | Tel: +55-51-3320-3500 ext. 7755
Faculdade de Informática - PUCRS | Fax: +55-51-3320-3621
Av. Ipiranga, 6681 |
Prédio 16 - Sala 106 |
90619-900 - Bairro Partenon | E-mail:
Porto Alegre - RS | osmarns.inf.pucrs.br
Brasil |
----------------------------------------------------------------------------
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 |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Oct 01 2006 - 06:07:13 PDT
