OpenBabel+OpenACC/OpenMp

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OpenBabel+OpenACC/OpenMp

Pranav
Hello, 

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.

Looking forward for the help.

Thanks,
Pranav

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Re: OpenBabel+OpenACC/OpenMp

Craig James-2
This is a very general question that might best be asked on a C++ forum or a forum devoted to GPU programming.

My understanding is that you can't just compile regular C++ code for a GPU. It has to be written very specifically for the GPU with an understanding of how the GPU works.

Craig

On Tue, Feb 2, 2016 at 5:00 AM, Pranav Khade <[hidden email]> wrote:
Hello, 

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.

Looking forward for the help.

Thanks,
Pranav

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Craig A. James
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Re: OpenBabel+OpenACC/OpenMp

Geoff Hutchison
In reply to this post by Pranav
> 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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Re: OpenBabel+OpenACC/OpenMp

Pranav
In reply to this post by Craig James-2
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.

-Pranav