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PostPosted: Mon Jan 19, 2015 10:11 pm 
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I've just installed autodock4.2.6 from the source code. I see two binaries: autodock4 and autodock4.omp. But I can't find any information concerning the proper usage of autodock4.omp. The help message for autodock4.omp is the same as for the autodock4. I've run tests using both binaries but haven't noticed any acceleration of docking speed with autodock4.omp
My processor is Intel(R) Core(TM) i5-4200U CPU @ 1.60GHz, so I have 2 cores and 4 threads. The cpu load during test docking runs is 25% either with autodock4.omp or with autodock4.
What am I missing? How can I use all four threads during the docking? Where the information or examples of autodock4.omp proper usage can be found?

with best regards,
Kateryna


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PostPosted: Sun Mar 08, 2015 5:50 pm 
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I've posted the same question to the ADL and I've got a reply from Michael Pique. I'm posting it here:

Quote:
So far (the code you have) will multi-process over the local-only
search but not yet over GA/LGA search, which is the default.
If you try a run using a modified version of the
Tests/1pgp_about_auto_local_only.dpf
that you modify to do a set of long-running local-only searches:
ga_pop_size 500
sw_max_its 10000 # iterations of Solis & Wets local search
sw_max_succ 4
sw_max_fail 16
ls_search_freq 1.0 # probability of performing local search on individual
set_psw1 # set the above Pseudo Solis & Wets parameters
do_local_only 150 # do this many LS runs
you should see a difference between the autodock4 and autodock4.omp
compilations.


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