> One
> question I have is will there be a separate model-free minimise()
> function for normal and MPI operation?
no the non mpi version just calls the uniprocessor processor
multi.uni_processor. The current uniprocessor implimentation is non
optimal by space on single processor machines but will have the same
overhead by time as any other implimentations (barring the use of
command cacheing which may save to object creation overhead)
> Another point is that I can't
> run the code in the branch without having MPI up and running.
>
>
you should be able to run relax without a --multi command line and
without an mpirun and the uniprocessor implimentations should run.
However, currently when I run it I get The dependency 'mpi4py' has not
been installed is that the problem you have?? I will investigate the problem
>> obviously there is consdiderable code cleanup and documentation still
>> to be done and also implimentation of processors for threading and
>> ssh tunnels
>
>
> The code is shaping up nicely. With a good clean up it should be
> relatively easy to port to the 1.3 line later on.
yep time to go from alpha to beta, glad you like it
> 1It looks like a
> great framework for the threading and grid computing via ssh tunnels.
>
indeed thats the intention and design goal ;-)
> Cheers,
>
> Edward
>
regards
gary
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--
-------------------------------------------------------------------
Dr Gary Thompson
Astbury Centre for Structural Molecular Biology,
University of Leeds, Astbury Building,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: garyt@xxxxxxxxxxxxxxx Fax +44-113-2331407
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