Run Example Files problem

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Cho yunsung
Posts: 8
Joined: Sun Jul 26, 2009 4:20 pm

Run Example Files problem

Post by Cho yunsung » Wed Jul 29, 2009 6:55 pm

Hi. I have a question.

I am trying to install Openmm from the binaries on a window xp & NVIDIA. I installed Visual studio 2005(a.k.a VS 8), CUDA 2.2 and .NETFRAMEWORK.
And I set the System variabl Path like the 'OpenMM Installation Instructions'

But, when I run the HelloArgon.sln,
I can't see the output, but I can see the error message (You get the error message : "The application failed to initialize properly(0xc0150002).Click OK to terminate the application")

In 'OpenMM Installation Instructions' manual,
this error message is though because OpenMM is trying to run the ATI GPU software(Brook).
But, in my case, OpenMM is trying to run the NVIDIA GPU.

Please, somebody help me.
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Michael Sherman
Posts: 806
Joined: Fri Apr 01, 2005 6:05 pm

RE: Run Example Files problem

Post by Michael Sherman » Wed Jul 29, 2009 8:18 pm

Hi, Cho. A few things to try:
(1) Comment out the loadPluginsFromDirectory() call at the beginning of the simulateArgon() fucntion. Then verify that you are able to run without the plugins (meaning you'll be using the Reference platform). If that works, then the problem is most likely trouble with the Brook plugin.
(2) Assuming you are able to run with the Reference platform, go to wherever you installed OpenMM and look in OpenMM/lib/plugins. If you see anything there with "Brook" in the name, delete it. Then put back the loadPluginsFromDirectory() call and let us know what happens.

Regards, Sherm
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ryu jaeyong
Posts: 1
Joined: Mon Jul 27, 2009 11:53 pm

RE: Run Example Files problem

Post by ryu jaeyong » Thu Jul 30, 2009 6:09 pm

Thanks for your reply.

I tried doing as your comments
1)comment out the loadPluginsFromDirectory()call
2)delete anything with "Brook" in OpenMM/lib/plugins

But, tha doesn't work, I can see only same error message.
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Michael Sherman
Posts: 806
Joined: Fri Apr 01, 2005 6:05 pm

RE: Run Example Files problem

Post by Michael Sherman » Thu Jul 30, 2009 7:31 pm

In that case it sounds as though the example is not finding any library, even the basic OpenMM library containing the Reference platform. Depending what OS you're running, you either need to set the PATH (Windows) or LD_LIBRARY_PATH (Linux) or DYLD_LIBRARY_PATH (Mac). Please see Section 4 of the installation instructions.

If you have any more trouble you may want to delete everything and reinstall from scratch, being very careful to follow the instructions exactly.

Sherm
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Akila Gothandaraman
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Joined: Fri Aug 14, 2009 9:57 am

RE: Run Example Files problem

Post by Akila Gothandaraman » Wed Aug 19, 2009 10:25 am

I have installed OpenMM (from source) in /usr/local/openmm. The HelloArgon file in OpenMMPreview3-Source within /usr/local/openmm compiles fine. I have installed the additional examples OpenMM-Examples in my home directory and have added /usr/local/openmm/lib to LD_LIBRARY_PATH. But running make gives me the error that it cannot find -lOpenMM.
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Michael Sherman
Posts: 806
Joined: Fri Apr 01, 2005 6:05 pm

RE: Run Example Files problem

Post by Michael Sherman » Wed Aug 19, 2009 4:18 pm

Hi, Akila. A few thoughts:
- are you on Linux or Mac? Mac uses a different environment variable name for the library path.
- I am confused about the specific error you're getting. Do you mean literally "-lOpenMM"? That string would appear at link time rather than run time.
- Have you checked /usr/local/openmm/lib to make sure the libraries actually were installed there correctly?

Regards, Sherm
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