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02/16/2018

03:00 PM GROMACS Bug #2403 (Resolved): Multidir sim with #mpiranks = 2*#sim fails
Applied in changeset commit:fa3593ec6b33ee61eaa51938891dadc6435a0534.
02:51 PM GROMACS Revision fa3593ec: Correct multisim MPI barrier
An MPI barrier used with multisim was called on incorrect ranks
and a barrier was missing.
Fixes #2403
Change-Id: I...
10:57 AM GROMACS Bug #2414 (Fix uploaded): -multidir not working due to erroneous use of MPI_Comm_create
Duplicate of #2403

02/14/2018

04:58 PM GROMACS Revision 71e36ecc: Remove support for tpx version before 58/gmx4.0
Change-Id: I2e5d7f23e9a6825c30a6687099a27e73857a59cd
01:52 PM GROMACS Revision 9dcb7741: Fix range bug in add_selection_groups in tngio.cpp
If there were more molecule blocks than types in the topology,
atoms from the later blocks could be missing in select...
01:30 PM GROMACS Bug #2407: Incorrect grompp net charge warning
Applied in changeset commit:93ac68d4a53df4f5289c8de89aa56b275afab18a.
10:15 AM GROMACS Bug #2407 (Resolved): Incorrect grompp net charge warning
Applied in changeset commit:8289afb35468662d4eb157cc505311260aba11aa.
09:58 AM GROMACS Revision 93ac68d4: Fix grompp net charge check
The grompp check for the net charge would ignore molecule blocks
at the end when molecule types are used in multiple,...
09:57 AM GROMACS Revision 8289afb3: Fix grompp net charge check
The grompp check for the net charge would ignore molecule blocks
at the end when molecule types are used in multiple,...

02/13/2018

12:57 PM GROMACS Bug #2407 (Fix uploaded): Incorrect grompp net charge warning

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