ADL: autodock4.omp vs autodock4 (version 4.2.6 compiled from source code)

Kateryna Miroshnychenko kateryna.miroshnychenko at gmail.com
Tue Jan 20 07:30:19 PST 2015


Dear list subscribers,
I've compiled and installed autodock 4.2.6 from the source code and I've
got two autodock binaries: autodock4 and autodock4.omp. Test runs (make
check) went smoothly for both of them. The problem is that I don't see any
acceleration with autodock.omp (suppose that this is a parallelized openMP
version) compared to the autodock4 (serial).
My processor is Intel(R) Core(TM) i5-4200U CPU @ 1.60GHz. It has two cores
and four threads. System monitor shows that CPU usage is  only 25% for
autodock4.omp process (the same is for autodock4).
I haven't found any information concerning proper usage of autodock4.omp.
The help message for it is the same as for autodock4.
What am I missing? Any examples of autodock.omp usage would be helpful.

with best regards,
Kateryna


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