[gmx-users] g_rdf_mpi going out of memory

[Aditya Gupta]

Hello GMX Users,

I want to compute intermolecular RDF between Hydrogen and Oxygen for water
system having 337500 number of water molecules. I have 512 GB Memory node
but then also the calculation is going out of memory. Can anyone tell me a
way to solve this situation
?

Thanks,
Aditya Gupta