[lammps-users] memory error

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1

Hi

With reference to my following email, I think I have got the answer to it. It seems like since I am using all cores per node, and process is trying to allocate more than 2 GB, it’s happening.

Thanks

Sorry for the premature question.

Chetan

2

There is no way for a system with 5K atoms that LAMMPS should
be attempting to allocate 2 Gb arrays for "binhead" in the neighbor
routines. Whether on one proc or many cores/node.
Something else must be wrong with your simulation.

I would first try to run on one proc and see how much memory LAMMPS
says it is using. Then go to 2 procs, etc. The memory per proc
should decrease, and never be anywhere near 2 Gb.

Steve