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Use GPUs for CPDN?

Use GPUs for CPDN?

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Jim1348

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Message 52584 - Posted: 17 Sep 2015, 10:31:54 UTC

I will assume for the sake of argument that CPDN will never use GPUs, which is OK with me. I can use CPUs for this work. But it appears that someone will make use of GPUs for various FORTRAN projects before long.

Computational Chemistry App: 12x Faster, Under 100 Lines of Code

Janus Juul Eriksen, a post-doc at qLEAP Center for Theoretical Chemistry at Aarhus University, provides a case study in the benefits of OpenACC. He maintains an application known as LS-DALTON that�s used for complex, large-scale molecular simulations.

He wanted to use LS-DALTON to simulate larger scientific problems on the GPU-accelerated Titan supercomputer at Oak Ridge National Labs. Like many researchers, Eriksen, who taught himself to code Fortran, has no formal education in computer science.

But with OpenACC, he was able to accelerate key algorithms in LS-DALTON up to 12x over a CPU version in just days. And he didn�t have to change any of the algorithms in his application to run on one of the world�s most powerful supercomputers.

http://blogs.nvidia.com/blog/2015/07/13/openacc
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Message boards : climateprediction.net Science : Use GPUs for CPDN?

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