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

js facien03 at uchile.cl
Tue Jan 20 08:58:43 PST 2015


*Hi:**
**Vina detects without problem the 4 threads (2 cores) in my laptop with 
an Intel I5. And it runs faster.**
**.Regards,**
**Juan**
*
On 1/20/2015 11:30 AM, Kateryna Miroshnychenko wrote:
> 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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