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Mark Abraham

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10/19/2018

11:40 AM GROMACS Bug #2704 (Fix uploaded): investigate change to log file
https://gerrit.gromacs.org/c/8574/2/complex/pull_geometry_angle-axis/reference_s.log and https://gerrit.gromacs.org/c...

10/18/2018

06:58 PM GROMACS Bug #2692: docs should not have unused files
OK. "old" doesn't really help people in three years know what it is for. Naming things for what they are now helps, b...
03:22 PM GROMACS Bug #2703: constraint and mass contributions missing from foreign Hamiltonian values
Reasonable also to fix in release-2016
06:08 AM GROMACS Bug #2642: mdrun with SIMD triggers floating point exceptions
Complex/orientation_restraints is also know to fail occasionally, but with checkforce errors, not an FPE

10/16/2018

04:18 PM GROMACS Task #2679 (Closed): bonded GPU offload task assignment
10:45 AM GROMACS Task #2679 (Resolved): bonded GPU offload task assignment
Applied in changeset commit:a07e8b21025a4e429ff8ec61783c1ad17e9516a8.
10:41 AM GROMACS Revision 01f9f197: Eliminated t_ifunc from t_interaction_function
Declared an equivalent function type within the listed-forces module,
because it is local there.
This eliminates the...
09:36 AM GROMACS Revision a07e8b21: Task assignment for bonded interactions on CUDA GPUs
Made a query function to find whether any interactions of supported
times exist in the global topology, so that we ca...
09:14 AM GROMACS Revision ca6ba370: Fix compiler issues
We recently added some extern template declarations to a function
whose argument list was then modified, but gerrit d...
07:30 AM GROMACS Task #2665 (Resolved): remove fermi support
Applied in changeset commit:354ebb3e51390bc488869630c583cc590dd61eeb.

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