[gmx-users] Domain Decomposition

[Shraddha Parate]

Dear Justin,

I tried using OpenMP parallelization with the following command:

mdrun -ntmpi 1 -ntomp 1

which works fine, but if ntomp is increased, I get the below error:-

*OpenMP threads have been requested with cut-off scheme group, but these
are only supported with cut-off scheme verlet*

Is there any other way to do OpenMP parallelization without changing the
cut-off scheme to Verlet?


Thank you in advance

Regards,
Shraddha Parate