[lammps-users] problem running Monte Carlo double bridging (for polymers) on multiple processors

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1

Hi! Hope this list is not restricted to the C++ version! I am having a strange problem running (FORTRAN) LAMMPS01 using the angle-swapping routine (used for equilibrating polymer melts). The problem centers on use or nonuse of the following command in the input script:

############### BONDSWAP INPUT ######################
# frac - fraction of atoms examined for swap
# cut - < FENE cutofff
# frac cut seed
diagnostic bondswap 100000000 none 3 0.5 1.3 820691

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(from Paul on behalf of Steve)

Rob - why don't you email me your input script and
data file for the 4 proc run that crashes immediately.
If its a huge problem (# of atoms), see if you can
create a smaller one that crashes quickly ??

Steve