> 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.)
I am sorry if the question was very general. The thing is that the problem I am facing is too complex to explain in a post. that is why I wanted to know if someone has experience in these three categories so that I can explain the problem by personal discussion.
But I do realise that posting this post was against the rules of forum. Please forgive me for that.