[gmx-users] help required in calculation of domain decomposition for a mixed lipid vesicle system

[Antara mazumdar]

Dear gromacs users,


I am trying to calculate domain decomposition of a mixed lipid vesicle
system OF SIZE 268675 Atoms and box size is 32 X 32 X 32 nm to be able to
run in parallel.

I want to calculate the number of PME nodes per total number of nodes.
However, i am not clear on how to calculate the value of nPME here. I would
also mention that number of nodes that can be used need to be multiple of
16 and the value of minimum cell size is 1.8 nm.

Can someone guide me in this regard?
Kind Regards,
Antara

--
Junior research fellow(project)
Systems biology group
CSIR-Institute of Genomics & Integrative Biology
South Campus
New Delhi -  110020
M : +91-9717970040
--