Large input file for benchmarking on GPU node
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11:00:29 PM PDT - Wed, Jul 4th 2018
Hello ,

If any one having large input size to run on GPU nodes for benchmarking.Please share the link or input file .I tried with tce_cuda.nw input file on GPU node .But it is very small input file .

Clicked A Few Times
5:04:57 AM PDT - Thu, Jul 5th 2018
All NWChem benchmarks and results are in this page [1].

The larger calculation is single-point energy calculation of Pentacene using CCSD(T) method [2].

Here is an input file given by developer [3].

Rangsiman


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