This is just a note to alert users that we have posted updates to
pmemd.cuda in Amber18, that fix some troublesome issues. Details are
here:
http://ambermd.org/GPUPatches.php
To install the updates, go to your AMBERHOME directory, type
"./configure -cuda .....", followed by "make install". The configure
step will automatically check for new updates and download them if you
agree.
As far as we can tell, any jobs that would have been affected by
these bugs would have crashed, usually right at the beginning of the
calculation. So if jobs you have already run completed without
crashing, they should be valid.
Thanks to the Amber user and development community for reporting
problems, and to those who helped us run tests with the updated code.
....dac
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Received on Sat Aug 18 2018 - 06:30:02 PDT
