Re: r3243 - in /branches/multi_processor: ./ multi/ prompt/ specific_fns/ -- March 29, 2007 - 12:58

garyt@xxxxxxxxxxxxxxx wrote:
> Author: varioustoxins
> Date: Thu Mar 29 11:45:22 2007
> New Revision: 3243
>
> URL: http://svn.gna.org/viewcvs/relax?rev=3243&view=rev
> Log:
> First fully working multi branch with both uniprocessor and mpi4py support
> communication overhead for 18 residues (test_short.py from chris) with 
> in memory io ~25% 
>   
Modified:
   branches/multi_processor/multi/mpi4py_processor.py
   branches/multi_processor/multi/uni_processor.py
   branches/multi_processor/prompt/interpreter.py
   branches/multi_processor/relax
   branches/multi_processor/specific_fns/model_free.py

as alluded to in the commit message with a fairly simple implimentation 
(each minimisation instance is sent off separately) I see an overhead of 
~25% with  with a small data set of 18 residues. I don't think this will 
improve with the current implimentation as there are too many messages, 
however, I  do intend to  increase the chunk size of  the communication 
(multiple minimises per message) as one of the next steps and see what 
the results are.

One other comment is that I have had to alter  prompt/interpreter.py 
because it was exiting too early



    # Quit.
-    if quit:
-        sys.exit()
+    # FIXME: need to drop off end of interpreter loop to exit cleanly
+    #if quit:
+    #    sys.exit()

I can't see a problem with it returning rather than quitting but obviously am 
ope to counter claims


Overall I am very happy with the current results and feel that the level 
of change to the main relax code base is very small and that the code is 
relativley portable and well defined

obviously there is consdiderable code cleanup and documentation still to be done and also implimentation of processors for threading and ssh tunnels 

have fun


regards
gary


n.b. 

The next targets are

1. code cleanup
2. chunking
3. grid searches
4. montecarlo calculations

in that order (suggestions of where to attack the code base for these are 
welcome!


after that if someone can point me to a semi useable  1.3.0+ version of 
relax I will try and forward port the code


--
-------------------------------------------------------------------
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
-------------------------------------------------------------------