> I wanted to ask if anyone has any experience with GPU programming using C++. 
> I wanted to know about general procedure/ approach . because all the codes 
> that i am compiling on GPU are failing.

This really is not the correct forum for this. If you’re interested in 
compiling Open Babel with OpenMP support for the force fields, fine.

Otherwise, as Craig suggested, you’re better off in a forum like 
http://stackexchange.com/ and posting a detailed question, including error 
messages. (Heck, I suggest searching first for error messages using Google - 
there are often very useful hints on different forums.)

-Geoff
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