Dear Lammps users.
I am running the lammps (version:lmp-31Mar17).
However, I received some warnings and output error information like below.
Can anyone figure out what happened?
The first three warnings I faced in my previous simulation for other system,but it simulation runs well.So I just ignored.
For the last warnings, " Bond/angle/dihedral extent > half of periodic box length". I NOT sure how to deal with this.
And the output error information shown “MPI_ABORT” (see bottom figure for details)
Thank you very much for any help in this matter.
PPPM initialization …
extracting TIP4P info from pair style
WARNING: Using 12-bit tables for long-range coulomb (…/kspace.cpp:321)
G vector (1/distance) = 0.288434
grid = 30 30 48
stencil order = 5
estimated absolute RMS force accuracy = 0.0376551
estimated relative force accuracy = 0.000113397
using double precision FFTs
3d grid and FFT values/proc = 15004 5400
WARNING: One or more atoms are time integrated more than once (…/modify.cpp:274)
WARNING: Neighbor exclusions used with KSpace solver may give inconsistent Coulombic energies (…/neighbor.cpp:472)
Neighbor list info …
update every 1 steps, delay 2 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 11.3092
ghost atom cutoff = 11.3092
binsize = 5.6546, bins = 9 10 18
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair lj/cut/tip4p/long, perpetual
attributes: half, newton on
pair build: half/bin/newton
WARNING: Bond/angle/dihedral extent > half of periodic box length (…/domain.cpp:906)