Dear lammps developers and users,
I have met some problems when using a reactive force field developed by Duin to simulate a C-Ni sample.
First, the error reminder said “Neighbor list overflow, boost neigh_modify one”, and then I increased the value of parameter “one”,
however another error “failed to allocate 8830876800 bytes for array list:three_bodiesapplication” occoured. I tried to solve this
problem by icreasing the value of the parameter “safezone” and “mincap”, but the problem is still over there.
It is weird that using this potential I simulated graphene and Ni with same or even larger size, and the obove mentioned problems did not happen.
Even more, I simulated other C-Ni samples with similar size but with different configurations, and the the obove mentioned problems also did not happen.
I have carefully checked the C-Ni sample used this time, but no problem was founded. Please give me some instructions, the input script (lammps.in) and the
C-Ni sample file (model.dat) were sended to you as attachments. The version of the lammps used is “lammps-12Dec18”.
Thanks in advance.
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