OpenMM build issues, missing files

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Ari Munic
Posts: 14
Joined: Thu May 31, 2012 11:06 am

Re: OpenMM build issues, missing files

Post by Ari Munic » Tue Oct 09, 2012 10:24 am

OpenMM is installed on this path: E:\Sorted Files\Program Files\OpenMM
OPENMM_PLUGIN_DIR is set to: E:\Sorted Files\Program Files\OpenMM\lib\plugins

Could the fact that I used a different cl.hpp file be causing the error?

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Ari Munic
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Re: OpenMM build issues, missing files

Post by Ari Munic » Wed Oct 10, 2012 10:05 am

Still having the same issue, any idea what could be going on?

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Peter Eastman
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Joined: Thu Aug 09, 2007 1:25 pm

Re: OpenMM build issues, missing files

Post by Peter Eastman » Wed Oct 10, 2012 11:19 am

Those values look fine. So let's try digging a bit further.

At the very beginning of simulateArgon() in HelloArgon.cpp, there's a call to OpenMM::Platform::loadPluginsFromDirectory(). Let's find out what's really getting loaded. Immediately after that, add the following lines:

Code: Select all

printf("plugin directory: %s\n", OpenMM::Platform::getDefaultPluginsDirectory().c_str());
printf("%d platforms\n", OpenMM::Platform::getNumPlatforms());
for (int i = 0; i < OpenMM::Platform::getNumPlatforms(); i++)
    printf("%d: %s\n", i, OpenMM::Platform::getPlatform(i).getName().c_str());
What output do you get from that?

If the OpenCL plugin isn't getting loaded, it's probably for one of two reasons: it's looking in the wrong directory, or the plugin has an unresolved dependency on another library (such as AMD's OpenCL library). If it's the latter, Dependency Walker is a useful tool for identifying the problem.

Peter

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Ari Munic
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Joined: Thu May 31, 2012 11:06 am

Re: OpenMM build issues, missing files

Post by Ari Munic » Thu Oct 11, 2012 7:20 pm

Well I'm not sure what changed, but everything seems to be working now. The output from the code I added in resulted in 2 platforms, reference and opencl. Now all the examples seem to be using opencl. I'm really not sure what changed but so far so good. Thanks for your help.

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