NWChem GPU Modules

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4:54:31 PM PST - Sun, Dec 9th 2012
Hello, I am wondering what type of NWChem GPU modules are in development and whether there is an expected release date. Thanks

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11:19:17 AM PST - Mon, Dec 10th 2012
We're currently integrating a GPU enhanced the computing intensive TCE modules into our development branch. Our target is to provide access with our upcoming release in the first quarter of 2013. This means that you should be able to test it in a Jan. or Feb. development version we would put online. Bert Quote:Jean Dec 9th 11:54 pm Hello, I am wondering what type of NWChem GPU modules are in development and whether there is an expected release date. Thanks

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1:50:08 PM PST - Tue, Feb 12th 2013
Quote:Bert Dec 10th 10:19 am We're currently integrating a GPU enhanced the computing intensive TCE modules into our development branch. Our target is to provide access with our upcoming release in the first quarter of 2013. This means that you should be able to test it in a Jan. or Feb. development version we would put online. Bert Quote:Jean Dec 9th 11:54 pm Hello, I am wondering what type of NWChem GPU modules are in development and whether there is an expected release date. Thanks Hi Bert, It seems that February development version has GPU support finally (by looking through the source files). However I was not able to locate any instructions about compilation and integration of the GPU module. Thanks

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3:45:04 PM PST - Tue, Feb 12th 2013
Quote:DouDou Feb 12th 12:50 pm Hi Bert, It seems that February development version has GPU support finally (by looking through the source files). However I was not able to locate any instructions about compilation and integration of the GPU module. Thanks DouDou, The GPU code that has appeared in the most recent development tarball is not complete yet. Once the implementation is complete, we will update the INSTALL instructions with details relative to this part. Cheers. Edo

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