OpenMM 6.0 binary install OS X 10.9
- Preeti Sahu
- Posts: 11
- Joined: Mon Jun 16, 2014 8:51 am
Re: OpenMM 6.0 binary install OS X 10.9
Ok . Thank you
- Preeti Sahu
- Posts: 11
- Joined: Mon Jun 16, 2014 8:51 am
Re: OpenMM 6.0 binary install OS X 10.9
While installing OpenMM in Mac OS X I get the following error {These are last few lines in the terminal}
- ......
running build_ext
building 'simtk.openmm._openmm' extension
creating build/temp.macosx-10.8-intel-2.7
creating build/temp.macosx-10.8-intel-2.7/src
creating build/temp.macosx-10.8-intel-2.7/src/swig_doxygen
clang -fno-strict-aliasing -fno-common -dynamic -g -Os -pipe -fno-common -fno-strict-aliasing -fwrapv -mno-fused-madd -DENABLE_DTRACE -DMACOSX -DNDEBUG -Wall -Wstrict-prototypes -Wshorten-64-to-32 -DNDEBUG -g -Os -Wall -Wstrict-prototypes -DENABLE_DTRACE -arch i386 -arch x86_64 -pipe -DMAJOR_VERSION=6 -DMINOR_VERSION=0 -I/usr/local/openmm/include -I/System/Library/Frameworks/Python.framework/Versions/2.7/include/python2.7 -c src/swig_doxygen/OpenMMSwig.cxx -o build/temp.macosx-10.8-intel-2.7/src/swig_doxygen/OpenMMSwig.o -stdlib=libc++ -mmacosx-version-min=10.7
clang: error: unknown argument: '-mno-fused-madd' [-Wunused-command-line-argument-hard-error-in-future]
clang: note: this will be a hard error (cannot be downgraded to a warning) in the future
error: command 'clang' failed with exit status 1
INSTALLATION FAILED
- Preeti Sahu
- Posts: 11
- Joined: Mon Jun 16, 2014 8:51 am
Re: OpenMM 6.0 binary install OS X 10.9
I used
Now it has got installed. I don't know the severity of the last error though!
Code: Select all
ARCHFLAGS=-Wno-error=unused-command-line-argument-hard-error-in-future ./install.sh
- Preeti Sahu
- Posts: 11
- Joined: Mon Jun 16, 2014 8:51 am
Re: OpenMM 6.0 binary install OS X 10.9
Mavericks seems to support the AMD Graphics card in our iMac. What if I upgrade Mountain Lion to Mavericks ? Will I be able to use OpenCL as platform for OpenMM?
The current rate at which the computation is done is 3minutes per picosecond [thats when there are no other computations running simultaneously]. So I need approx 4-5 days to get a data set for 2 nanoseconds. I am trying to know if there are ways I can optimize this time in the iMac.
The current rate at which the computation is done is 3minutes per picosecond [thats when there are no other computations running simultaneously]. So I need approx 4-5 days to get a data set for 2 nanoseconds. I am trying to know if there are ways I can optimize this time in the iMac.
- Jason Swails
- Posts: 47
- Joined: Mon Jan 07, 2013 5:11 pm
Re: OpenMM 6.0 binary install OS X 10.9
No, you cannot use the OpenCL platform on Macs (unless you have a very old version of Mac OS X, like 10.6).
Apple's OpenCL implementation is quite broken at the moment.
Apple's OpenCL implementation is quite broken at the moment.
- Peter Eastman
- Posts: 2607
- Joined: Thu Aug 09, 2007 1:25 pm
Re: OpenMM 6.0 binary install OS X 10.9
Your workaround is correct. The problem is that Apple has combined a version of clang that requires that flag with a version of Python that was compiled without the flag. Hence, any attempt to build Python modules fails by default! I'd call this a critical bug that they should have fixed as an absolute top priority. But it's been around for months and they haven't done anything about it.I don't know the severity of the last error though!
Unless this is a truly huge system, you must be using the reference platform. Can you use the CPU platform instead? It's much faster. What model of iMac do you have?So I need approx 4-5 days to get a data set for 2 nanoseconds.
Peter