Paul Bauer

  • Registered on: 10/06/2017
  • Last connection: 06/24/2019





10:52 AM GROMACS Bug #2991: Current git (since at least Feb): all molecules renumbered as "1" in _final_ GRO file output at end of a simulation
Can you please test this with 2019.3? We fixed some bugs related to molecule indexing there that might have caught th...


02:41 PM GROMACS Bug #2989 (New): (thread-) MPI setup hanging on bs_jetson_tk1
Running gmx mdrun leads to a hang during the thread-MPI setup phase since commit
01:25 PM GROMACS Bug #2986: Post submit failing in two configurations
Recent examples of failing builds
01:07 PM GROMACS Revision 1e6316f4: Use ISerializer for TPR file IO
Change all the function calls in do_tpx and friends to use the
ISerializer instead of the previous t_fileio pointer.


08:07 PM GROMACS Revision 21d45dd2: Split tpr header reading reading from tpr body
Split the low level functions for TPR file header and file body reading
into fully separate parts to allow reading th...
01:24 PM GROMACS Bug #2986 (In Progress): Post submit failing in two configurations
Post submit has been failing for weeks now on two different configurations.


11:19 PM GROMACS Revision e8f18f11: Fix gmx dump
The program would fail because the filename for writing the output mdp
file was passed as valid empty string that cou...
07:45 PM GROMACS Revision e887207f: Extend ISerializer functionality
Add datatypes to ISerializer that are needed to read TPR files but were
Refs #2971
Change-Id: I5d5e7f1f91c...


01:07 PM GROMACS Wiki edit: Stockholm_team_meeting_minutes (#29)


03:22 PM GROMACS Revision ab7ba009: Prepare for 2019.4
Reset DOI strings.
Change-Id: I1b5112bda4beb17e0f33276f60b8354b159858f0

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