On Thu, Feb 11, 2016 at 10:31 AM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Actually, looking more closely, the main failures shown here are all for
> IGB=8. This is because update.12 changed the GBNeck2 parameters and thus
> all IGB=8 results:
>
> http://ambermd.org/bugfixes/14.0/update.12
>
> It did not however update the test cases. So in this case the test suite
> is correct - IGB8 is now, as far as the test suite is concerned, giving
> incorrect answers. The IGB8 test output needs to be updated and the author
> of update.12 should make an additional update to fix this.
>
The results are the same, but the output info in the header is
mismatched. But since I fixed all your Makefile stuff with pmemd.cuda,
I'll let you handle the CUDA test update if you want it fixed ;).
-Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 11 2016 - 08:30:04 PST
