Mark Williamson wrote:
> Dear All,
>
> I'm seeing the following failures in AT15 with all bug fixes up to 15
> possible FAILURE: check hpv.top.dif
> /home/mjw/code/AMBER/amber11/AmberTools/test/sleap/prmtop
> 5c5
> < 3128 14 1612 1542 3682 2090 6862 5296
> 0 0
> ---
>> 3128 14 1612 1542 3682 2090 7082 5296
> 0 0
>
An update: I think this may be linked to recent H1-CT-C -O fixes in
parm{99,10}.dat . I think the related sleap saved test files on the
at15-with-patches branch need updating with those already updated on the
master (00ace221a451871221991a162705fa62b62003f3).
On the master git branch:
cd amber/AmberTools/test/sleap/prmtop
mw529.cyclops:~/code/AMBER/git/amber/AmberTools/test/sleap/prmtop$ git
status
# On branch master
nothing to commit (working directory clean)
$ git diff master..at15-with-patches hpv.top.save
index 57c21d8..2aeb1b4 100644
--- a/AmberTools/test/sleap/prmtop/hpv.top.save
+++ b/AmberTools/test/sleap/prmtop/hpv.top.save
.. -4,7 +4,7 ..
%FLAG POINTERS
%FORMAT(10I8)
- 3128 14 1612 1542 3682 2090 7082 5296
0 0
+ 3128 14 1612 1542 3682 2090 6862 5296
0 0
17394 198 1542 2090 5296 33 42 42
14 0
I think a solution would be to cherry pick
00ace221a451871221991a162705fa62b62003f3 over to at15-with-patches
branch and then update the public at15 bugfix with this.
Regards,
Mark
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Received on Thu Sep 01 2011 - 08:00:03 PDT
