ERROR

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1

While working on a simulation with gas hydrates, i encountered with the following error. Please help me out.

ERROR on proc 0: Failed to allocate 15438249000 bytes for array pppm:density_brick (…/memory.cpp:64)

I attach my input file and data file here below.

inputonemolecule1.txt (1.66 KB)

test.txt (558 KB)

2

I would think this is rather obvious. You ran out of memory. 15438249000 bytes is about 15GB, does your system have that much memory available?

3

I would think this is rather obvious. You ran out of memory. 15438249000 bytes is about 15GB, does your system have that much memory available?

more importantly, you should ask yourself “how is it possible, that LAMMPS is requesting so much memory for such a moderate size system?”

a quick glance reveals, that the units are all over the place.

  • do you really mean to have a realspace cutoff of 0.4 angstrom?? that is what blows up the kspace memory use.
  • do you really mean to use a time step of 0.0001 fs?? that is tiny!
  • please check your geometry in the data file! are these angstroms? it looks like nanometers

the running out of memory is just the symptom here, the input overall is a problem. MD is always GI-GO.

axel.