- Update to 4.6.1
Bugfix release
- increased shared object major version to 8, #1147
- updates to HTML manual, install guide, PDF manual, shell completions
copious minor bug fixes
- various build system upgrades and fixes #1143
- new and enhanced error messages
- fixes for AdResS bugs (neighbour list construction, flop accounting,
multiple tf tables)
- fixed PME timing counter issues #1125
- fixed PME load balance reporting
- fixed forcerec to work with tools like genion and g_disre #1136
- various GPU performance enhancements
- fixed sd integrator with OpenMP threading #1138
- various minor fixes for interacting with CUDA for GPUs
- fixes for g_tune_pme to cope with new mdrun behaviour and changed
command-line options (for both g_tune_pme and mdrun)
- more checks for system support for setting thread affinities
- removed inter-flag dependency in g_order
- fixed issues with free-energy pertubation soft-core and cut-offs #1146
- fixed issues with md-vv + nose-hoover + (nstcalcenergy > nsttcouple)
#1129
- incorporated new changes from release 4.5.x branch
- prevented building with icc 11.1 and SSE4.1 because of known problems
#1126
- adding warning about not building with icc version < 12 #1126
- fixed bug sorting atoms with GPUs introduced since 4.6 #1153
- fixed issues with automated download of regression tests #1150
- fixed bug with DD cut-off check and PME dynamic load balancing #1169 (forwarded request 157461 from kwk)