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Re: [modeller_usage] Fwd: Run Modeller processes on multiple cpus



On 4/19/13 1:31 AM, Lalith Kumar wrote:
I am running mod9v11 on Intel Xeon with 12 cores processor. I have found
that modeller is utilizing only single processor. Even though there are
few older posts regarding the execution of modeller processors on
multiple processors, I am unable to implement them. Sorry, I am newbie
to python.
Since you don't say what you've tried, or what problems you ran into, 
it's difficult to help you. Modeller doesn't use all the processors by 
default. To take advantage of multiple cores, you can either split your 
job manually (as Oscar suggests) or have Modeller do it for you 
automatically. To do the latter, you need to set up a parallel job 
object and then call a.use_parallel_job(). How you create the parallel 
job object depends on how you want to parallelize your job (e.g. whether 
you want to use a batch scheduling system). To just use 12 cores on the 
local machine, something like the following should work:
a = automodel(...)
j = job(host='localhost')
for i in range(12):
    j.append(local_slave())
a.use_parallel_job(j)

	Ben Webb, Modeller Caretaker
--
modeller-care@salilab.org             http://www.salilab.org/modeller/
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