- Registered on: 03/12/2013
- Last connection: 12/11/2018
- 02:30 PM GROMACS Bug #2800 (Resolved): gmx analyze cannot use lmfit
- Applied in changeset commit:07ea0377472ffc18c16fbd3dbc38c7cb1f63c484.
- 02:23 PM GROMACS Revision 07ea0377: Set HAVE_LMFIT properly
- The HAVE_LMFIT was only set in the local scope.
- 04:10 PM GROMACS Bug #2800 (Closed): gmx analyze cannot use lmfit
- When using the -fitfn option of gmx analyze I get:
This build of GROMACS was not configured with sup...
- 10:36 AM GROMACS Revision 707a94f6: Make pull with COM from previous step work with MPI
- There was no communication between the ranks, which caused
crashes with MPI and tMPI. This fixes that.
- 05:14 PM GROMACS Bug #2769: mdrun freezes when running too many threads
- The commit that fixes this (Gerrit commit 8746) does not fix #2776. I'm looking into if there's any relationship to t...
- 10:26 AM GROMACS Bug #2769: mdrun freezes when running too many threads
- This is the stack trace:
#0 tMPI_Event_wait (ev=0x7a5330) at /home/magnusl/gromacs/src/external/thread_mpi/src/even...
- 10:19 AM GROMACS Bug #2769: mdrun freezes when running too many threads
- I can reproduce it on my desktop machine when running with "-pme cpu -nb cpu -bonded cpu". The machine on which I fir...
- 08:31 PM GROMACS Bug #2769: mdrun freezes when running too many threads
- Yes, it's thread-MPI. Hopefully the tpr is attached this time.
- 07:24 PM GROMACS Bug #2769 (Closed): mdrun freezes when running too many threads
- When this tpr on a machine with 4 physical cores (8 virtual threads) it hangs if running too many threads.
- 02:06 PM GROMACS Feature #2667: Suggested steps for calculating entropy in solution and binding
- This feature request is not about the restored code (that was a separate issue). At least a reference to that publica...
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