Dear LAMMPS-users:
When I use the command “angle_coeff 3 file.table ENTRY1” on cluster nodes, I get the error message :
TableAngle_1.dat (7.54 KB)
Test1.data (190 KB)
Test1.in (1.87 KB)
You must be using an old version of LAMMPS. A current version will not crash but instead produce the following warning:
WARNING: 1 of 181 lines in table incomplete or could not be parsed (src/MOLECULE/angle_table.cpp:423)
This is because your table file is not correctly formatted. It starts with:
# Angle potential for harmonic
Test1
N 181
N 181
1 0 167.018487769082 174.832455464068
2 1 163.981022942695 173.235374478738
3 2 160.971432437923 171.638293493408
4 3 157.989716254766 170.041212508078
But according to the documentation, this should be:
# Angle potential for harmonic
Test1
N 181
1 0 167.018487769082 174.832455464068
2 1 163.981022942695 173.235374478738
3 2 160.971432437923 171.638293493408
4 3 157.989716254766 170.041212508078