Removed hybrid GPU+CPU nonbonded mode¶
This mode was not very useful, since it ran the non-local non-bonded interactions on the CPU. The fraction of non-local interaction is set by the domain decomposition, so this is not flexible. Also this mode was not being tested.
QM/MM: removed optimization and transition-state search¶
These functionalities used to only work with old versions of Orca, had very limited use and will possibly not work any longer now.
Updated application clock handling on Pascal+ GPUs¶
Starting with Pascal (CC >= 6.0) it is no longer possible to change application clocks without root privileges. Application clocks are still reported for Pascal+, but there is no longer suggestions about changing them.
Removed continuation from gmx convert-tpr¶
Removed the obsolete option of gmx convert-tpr to write a tpr file for continuation using a trajectory and energy file. This is superseded by checkpointing.