There is an environment variable OMP_NUM_THREADS which should control the
number of cores used at runtime. I haven't tried it with openbabel
specifically however.
Igor
On Sep 21, 2017 6:08 AM, "Геннадий Макаров via OpenBabel-discuss" <
openbabel-discuss@lists.sourceforge.net> wrote:
> Problem so
Problem solved
>Четверг, 21 сентября 2017, 14:17 +05:00 от Геннадий Макаров via
>OpenBabel-discuss :
>
>Usage of this option during building did not change behaviour of OpenBabel: it
>still use all cores.
>
>
>>Четверг, 21 сентября 2017, 0:30 +05:00 от Geoffrey Hutchison <
>>geoff.hutchi...@gm
Usage of this option during building did not change behaviour of OpenBabel: it
still use all cores.
>Четверг, 21 сентября 2017, 0:30 +05:00 от Geoffrey Hutchison
>:
>
>> I builded OpenBabel from sources on Ubuntu 14.
>
>
>You built with ENABLE_OPENMP on (which is off by default) so yes, it will
> I builded OpenBabel from sources on Ubuntu 14.
You built with ENABLE_OPENMP on (which is off by default) so yes, it will use
all the cores you have.
cmake -DENABLE_OPENMP=OFF .
# or
ccmake . # in build directory
# turn off ENABLE_OPENMP
Hope that helps,
-Geoff
---
Prof. Geoffrey Hutchison
D
I builded OpenBabel from sources on Ubuntu 14.
>Среда, 20 сентября 2017, 19:55 +03:00 от Geoffrey Hutchison
>:
>
>> babel will use all cores of my machine. It is not optimal for small molecule
>> and, as a result, very slow.
>
>I do not believe the default installation has OpenMP enabled. Did
> babel will use all cores of my machine. It is not optimal for small molecule
> and, as a result, very slow.
I do not believe the default installation has OpenMP enabled. Did you download
the source or a binary? For which OS?
Thanks and best regards,
-Geoff
---
Prof. Geoffrey Hutchison
Depar
