OpenMM ATI

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Jack Shultz
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OpenMM ATI

Post by Jack Shultz » Mon Oct 04, 2010 5:20 pm

Can anyone build OpenMM on ATI card? I'm getting these error messages

warning C4530: C++ exception handler used, but unwind semantics are not enabled. Specify /EHsc

but the /EHsc is enabled

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Peter Eastman
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RE: OpenMM ATI

Post by Peter Eastman » Mon Oct 04, 2010 5:23 pm

What operating system and compiler are you using?

Peter

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Jack Shultz
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RE: OpenMM ATI

Post by Jack Shultz » Mon Oct 04, 2010 5:38 pm

Windows 7 64 bit

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Peter Eastman
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RE: OpenMM ATI

Post by Peter Eastman » Mon Oct 04, 2010 5:44 pm

That's a combination I've never tried. I've used ATI cards under Linux, and that works fine, but not under Windows, and I haven't used 64 bit Windows 7 with any type of GPU.

Does the compilation work successfully? The only message you posted was a warning, not an error. If it fails, what error causes it to fail?

Peter

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Jack Shultz
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RE: OpenMM ATI

Post by Jack Shultz » Mon Oct 04, 2010 5:52 pm

None of it worked. I did get a couple errors in CMake but it was able to generate

CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: MS-DOS style path detected_ C_/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/.svn/entries
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: Preferred POSIX equivalent is_ /cygdrive/c/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/.svn/entries
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: CYGWIN environment variable option "nodosfilewarning" turns off this warning.
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: Consult the user's guide for more details about POSIX paths_
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: http_//cygwin.com/cygwin-ug-net/using.html#using-pathnames
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: exported
Java version 1.6.0.20 configured successfully!
Configuring done

I put the Visual Studio Express 2008 errors it in this pastebin
http://pastebin.com/7XrfzjhZ

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Peter Eastman
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RE: OpenMM ATI

Post by Peter Eastman » Mon Oct 04, 2010 6:02 pm

You can't build OpenMM under cygwin. You need to use the standard Windows CMake client, and use it to generate a Visual Studio project.

Peter

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Jack Shultz
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RE: OpenMM ATI

Post by Jack Shultz » Mon Oct 04, 2010 6:09 pm

I used the Windows Client, I did not use the Cygwin client. It generated a Visual Studio 9 project

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Peter Eastman
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RE: OpenMM ATI

Post by Peter Eastman » Tue Oct 05, 2010 2:43 pm

Either you're currently running the Cygwin version of CMake, or else you ran it in the past and set up your CMake cache variables using it. Error messages such as

Preferred POSIX equivalent is_ /cygdrive/c/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/.svn/entries

or

CYGWIN environment variable option "nodosfilewarning" turns off this warning.

are kind of a give-away. :)

Try deleting your CMakeCache.txt then regenerating it from scratch, making sure you do everything with the stand-alone client.

Peter

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Jack Shultz
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RE: OpenMM ATI

Post by Jack Shultz » Tue Oct 05, 2010 3:57 pm

I recently installed the os, a couple days ago. I'm running the windows cmake version 2.8.2 which I installed from the binary distribution.

>Try deleting your CMakeCache.txt then >regenerating it from scratch, making sure
>you do everything with the stand-alone client.


I did that. The second time I run the configure it generates those same cmake errors
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: MS-DOS style path detected_ C_/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/.svn/entries
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: Preferred POSIX equivalent is_ /cygdrive/c/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/.svn/entries
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: CYGWIN environment variable option "nodosfilewarning" turns off this warning.
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: Consult the user's guide for more details about POSIX paths_
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: http_//cygwin.com/cygwin-ug-net/using.html#using-pathnames
CMake Error: Parse error in cache file C:/Users/jshultz/Documents/Visual Studio 2008/Projects/OpenMM2.0-Source/src/CMakeCache.txt. Offending entry: exported
Java version 1.6.0.21 configured successfully!
Configuring done

Question, what does it normally set your OPENMM_SVN_REVISION?

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Peter Eastman
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RE: OpenMM ATI

Post by Peter Eastman » Tue Oct 05, 2010 4:57 pm

If you're not running Cygwin, then where are those messages that explicitly mention Cygwin coming from?

Peter

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