From NWChem
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Just Got Here
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| 11:00:29 PM PDT - Wed, Jul 4th 2018 |
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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 .
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Clicked A Few Times
Threads 8
Posts 22
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| 5:04:57 AM PDT - Thu, Jul 5th 2018 |
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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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