Dear All,
Thanks Greg!
Using your command compilation line (see bellow), It's the first time I can
really test mutlithread rdkit on my mac.
"cmake -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG
-DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG
-DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON
-DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include
-DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc
-DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64
-DBUILD_SHARED_LIBS:BOOL=ON -DRDK_INSTALL_INTREE=OFF
-DCMAKE_BUILD_TYPE=RelWithDebInfo -DRDK_BUILD_INCHI_SUPPORT:BOOL=ON
-DRDK_BUILD_THREADSAFE_SSS:BOOL=ON -DRDK_BUILD_CAIRO_SUPPORT:BOOL=ON
-DRDK_INSTALL_STATIC_LIBS:BOOL=OFF -DRDK_USE_FLEXBISON:BOOL=ON
-DRDK_TEST_MULTITHREADED:BOOL=ON
-DPYTHON_EXECUTABLE:FILEPATH=/Library/Frameworks/Python.framework/Versions/2.7/bin/python"
MacBook-Pro-de-MBP:Book mbp$ time python genconformersmutiltherads.py
numthread=1
real 0m10.941s
user 0m10.869s
sys 0m0.059s
MacBook-Pro-de-MBP:Book mbp$ time python genconformersmutiltherads.py
numthread=4
real 0m3.979s
user 0m11.638s
sys 0m0.106s
I will try to include this now into javascript version of RDKit and build
WebAssembly instead of simple js file. Now emscripten / binaryen project should
allows to compile C++ into webassembly which will be the standard of Chrome/
Firefox / Edge in the near future if you want to have faster time execution
compare to current javascript codes.
best regards,
Dr. Guillaume GODIN
Project Manager
Innovation
CORPORATE R&D DIVISION
DIRECT LINE +41 (0)22 780 3645
MOBILE +41 (0)79 536 1039
Firmenich SA
RUE DES JEUNES 1 | CASE POSTALE 239 | CH-1211 GENEVE 8
________________________________
De : Greg Landrum <[email protected]>
Envoyé : lundi 11 avril 2016 13:20
À : Gianluca Sforna
Cc : RDKit Discuss; RDKit Developers List
Objet : Re: [Rdkit-discuss] [Rdkit-devel] Beta of Q1 2016 release now up
Gianluca,
This could be the issue fixed by this PR from Matt Swain:
https://github.com/rdkit/rdkit/pull/856
-greg
On Mon, Apr 11, 2016 at 12:32 PM, Gianluca Sforna
<[email protected]<mailto:[email protected]>> wrote:
On Thu, Apr 7, 2016 at 6:24 AM, Greg Landrum
<[email protected]<mailto:[email protected]>> wrote:
> I have tagged a beta of the next RDKit release here:
> https://github.com/rdkit/rdkit/releases/tag/Release_2016_03_1b1
Tried to rebuild the RPMs but got this right on cmake:
-- Found INCHI: /usr/lib64/libinchi.so
CMake Error at External/INCHI-API/CMakeLists.txt:64 (install):
install TARGETS given target "Inchi" which does not exist in this
directory.
cmake invocation as follow:
/usr/bin/cmake -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG
-DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG
-DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG
-DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_PREFIX:PATH=/usr
-DINCLUDE_INSTALL_DIR:PATH=/usr/include
-DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc
-DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64
-DBUILD_SHARED_LIBS:BOOL=ON -D RDK_INSTALL_INTREE=OFF -D
CMAKE_BUILD_TYPE=RelWithDebInfo -D RDK_BUILD_INCHI_SUPPORT:BOOL=ON -D
RDK_BUILD_THREADSAFE_SSS:BOOL=ON -D RDK_BUILD_CAIRO_SUPPORT:BOOL=ON -D
RDK_INSTALL_STATIC_LIBS:BOOL=OFF -D RDK_USE_FLEXBISON:BOOL=ON -D
RDK_TEST_MULTITHREADED:BOOL=ON -D
PYTHON_EXECUTABLE:FILEPATH=/usr/bin/python2 .
I'll dig in it later, in the meanwhile if you have ideas they will be
very welcome.
**********************************************************************
DISCLAIMER
This email and any files transmitted with it, including replies and forwarded
copies (which may contain alterations) subsequently transmitted from Firmenich,
are confidential and solely for the use of the intended recipient. The contents
do not represent the opinion of Firmenich except to the extent that it relates
to their official business.
**********************************************************************
------------------------------------------------------------------------------
Find and fix application performance issues faster with Applications Manager
Applications Manager provides deep performance insights into multiple tiers of
your business applications. It resolves application problems quickly and
reduces your MTTR. Get your free trial! http://pubads.g.doubleclick.net/
gampad/clk?id=1444514301&iu=/ca-pub-7940484522588532
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
