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Berk Hess

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06/20/2017

01:51 PM GROMACS Bug #2156 (Closed): EwaldUnitTests fail on current master using -DGMX_DOUBLE=ON
01:50 PM GROMACS Bug #2179 (Closed): Regression resulting from 5b88d3c18 Remove state duplication in serial runs
01:50 PM GROMACS Bug #2177 (Closed): tip4p_continue fails with -ntomp 8 -nt 8
09:44 AM GROMACS Bug #2206 (Accepted): IMD interface malfunctions in 2016.3

06/17/2017

11:38 AM GROMACS Revision e00fc350: Add tolerance to calc_verletbuf test
Change-Id: I4cf79e7ca4411fb326d90916f8afcb218f01b176

06/15/2017

11:49 AM GROMACS Bug #2205 (Accepted): mdrun -cpi unable to find files despite correct location
I think we never thought about the possibility of supplying a subdirectory in deffnm file names. I would suggest that...

06/13/2017

09:50 PM GROMACS Bug #2197 (Closed): Regression (mdrun segfault) after 1ecd43b0034
01:57 PM GROMACS Bug #2200: PME tuning incorrect with the group scheme
You should never use PME tuning with the group scheme, in any version (but with the Verlet cut-off scheme it is fine)...

06/12/2017

05:43 PM GROMACS Revision 07da80b9: Fix null pointer print in DD
Fixed a (rather harmless) print of a null pointer string during
DD initialization. This would only show up with mdrun...
04:38 PM GROMACS Bug #2200: PME tuning incorrect with the group scheme
Some more details:
With 4.6, 5.0 and 5.1 the neighbor search actually does construct the additional long-range pair ...

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