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Paul Bauer

  • Registered on: 10/06/2017
  • Last connection: 10/14/2019

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Today

03:26 PM GROMACS Bug #3081: segmentation fault from ~LegacyMdrunOptions()
is this still an issue here
01:32 PM GROMACS Task #3089 (Closed): relax dlb scaling limit when that would suit GPU halo exchange
01:31 PM GROMACS Bug #3084 (Closed): gmx report-methods test unstable
01:31 PM GROMACS Task #2971: Rework TPR reading to allow reading of raw bytes from disk and communication of complete information at setup time
This wasn't supposed to resolve the issue with TPR generation, this is always limited by the way grompp assigns param...
12:00 PM GROMACS Bug #3129 (Fix uploaded): std::bad_alloc in pdb2gmx with Gromacs 2020 beta
managed to find and fix this, fix is here: https://gerrit.gromacs.org/c/gromacs/+/13718
11:37 AM GROMACS Bug #3129: std::bad_alloc in pdb2gmx with Gromacs 2020 beta
What forcefield did you use? I need to know what steps you took to properly reproduce this!

10/11/2019

05:36 PM GROMACS Bug #3129: std::bad_alloc in pdb2gmx with Gromacs 2020 beta
we also need the input files for pdb2gmx to reproduce the bug
02:35 PM GROMACS Bug #3084 (Resolved): gmx report-methods test unstable
this should be resolved now with commit:cef36d09e64b3f5e3a0248722d8da8d7f1cc584d being submitted
01:23 PM GROMACS Revision cef36d09: Add helper to reuse generated TPR files in testing
Used static class members in GoogleTest and provided option in
testfilemanager to allow file path specification befor...

10/10/2019

03:22 PM GROMACS Revision 2a921e94: Basic population of simulation workload
Adds basic population of simulation workload datastructure from
information available after task assignment is done t...

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