Nevermind, I found it. User error on my part.
Charlie
________________________________
From: Charles Lin <clin92.ucsd.edu>
Sent: Friday, February 2, 2018 2:49:02 PM
To: AMBER Developers Mailing List
Subject: [AMBER-Developers] PMEMD Serial Bonded Issue?
Hi all,
I've been running some regression tests on the pmemd serial code to merge a new feature for the A18 release.
I was having issues where the regression testing for GNU compilers on master was causing errors for the 4096 water box tests (and various other ones) with a gbl_bond issue. I have a feeling that this might be gnu specific (my intel compiler licenses lapsed and I haven't had a chance to update them yet, so haven't tested this on intel).
Has anyone encountered a similar issue or has insight on where this could be? I've looked in the log history of the prmtop reading and the bonded code so far.
Thanks,
Charlie
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Received on Fri Feb 02 2018 - 12:30:02 PST
