mdrun 2018 using SD integrator segfaults when attempting to read from checkpoint file - Redmine #2781
Archive from user: Carsten Kutzner
We have a small mixture system of water/alkanol using the SD integrator. It runs fine and stable in v. 2018, however it immediately segfaults when trying to restart from .cpt.
Can be reproduced with the attached .tpr:
gmx mdrun -nt 1 -s md.tpr -nsteps 10
gmx mdrun -nt 1 -s md.tpr -cpi
The segv happens in restore_energyhistory_from_state() where the program accesses enerhist->…, however enerhist is a null pointer.
(from redmine: issue id 2781, created on 2018-11-29 by gmxdefault, closed on 2018-12-03)
- Changesets:
- Revision d5972f77 by Paul Bauer on 2018-11-29T14:30:42Z:
Fix energy history reading
The energy history could be read as a nullptr from a checkpoint file,
leading to issues when trying to restart a simulation. Fixed the logic
issue and added an assertion to catch it in the future.
Also removed redundant comparisons to nullptr.
Separate commit on 2018 as per #2770.
Refs #2781
Change-Id: Ic584dc92c110065c1650cc1ab0d7ff0a8960fb3a- Revision ad77000a by Paul Bauer on 2018-12-03T09:02:29Z:
Fix energy history reading
The energy history could be read as a nullptr from a checkpoint file,
leading to issues when trying to restart a simulation. Fixed the logic
issue and added an assertion to catch it in the future.
Also removed redundant comparisons to nullptr.
Fixes #2781
Change-Id: I99ce1a2b932046cab6918ec24b267fc8ff3850ad- Uploads: