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<div>> I'll re-run some ensemble-checking tests on a range of hardware. This is important to do with all the bells and whistles on/default, because we have to disable some of those for the regression testing to work reliably.</div>
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<div>I'm interested in how I can help make this more automated and easier for other people to use. If there are specific tasks that can be done towards making this part of a general gromacs suite, please let me know. This is high priority, since I will almost
certainly need this for revising the integrator suite.</div>
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<div>> I will also try re-run a battery of free-energy tests we ran while fixing issues just before 5.0. Nothing should have changed, but we may as well find out.</div>
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<div>I'd also be interested in what these are as well and how I can help automate/improve.</div>
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<div>Best,</div>
<div>~~~~~~~~~~~~<br>
Michael Shirts<br>
Associate Professor<br>
Department of Chemical Engineering<br>
University of Virginia<br>
<a href="michael.shirts@virginia.edu">michael.shirts@virginia.edu</a><br>
(434) 243-1821</div>
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<div>Mark</div>
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