[gmx-users] g_rdf_mpi going out of memory

Aditya Gupta adityagupta10101993 at gmail.com
Wed Feb 1 13:12:16 CET 2017

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

Aditya Gupta

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