Hello everyone
I am trying to combine neb outputs for further analysis using neb_combine.py, I made sure to use set environment variable “LAMMPS_PYTHON_TOOLS”, and also change my python intepreter with correct version of 2.7.18, Also I following the right command given in the README file ,and specifying the damp1, damp2 …damp8 files at the end of command but still it is showing following error,
can you please suggest me how to approach this problem ?
arslanullah@uffimm13 example_hop1 % python2.7 neb_combine.py -o outfile -b backfile -r dump.neb.1 dump.neb.2 dump.neb.3 dump.neb.4 dump.neb.5 dump.neb.6 dump.neb.7 dump.neb.8
0102030405060708090100110120130140149150151
read 18 snapshots
18 snapshots selected out of 18
assigned columns: id type x y z
Unscaling dump …
Setting …
0102030405060708090100110120130140149150151
read 18 snapshots
18 snapshots selected out of 18
assigned columns: id type x y z
Unscaling dump …
Setting …
0102030405060708090100110120130140149150151
read 18 snapshots
18 snapshots selected out of 18
assigned columns: id type x y z
Unscaling dump …
Setting …
0102030405060708090100110120130140149150151
read 18 snapshots
18 snapshots selected out of 18
assigned columns: id type x y z
Unscaling dump …
Setting …
0102030405060708090100110120130140149150151
read 18 snapshots
18 snapshots selected out of 18
assigned columns: id type x y z
Unscaling dump …
Setting …
0102030405060708090100110120130140149150151
read 18 snapshots
18 snapshots selected out of 18
assigned columns: id type x y z
Unscaling dump …
Setting …
0102030405060708090100110120130140149150151
read 18 snapshots
18 snapshots selected out of 18
assigned columns: id type x y z
Unscaling dump …
Setting …
0102030405060708090100110120130140149150151
read 18 snapshots
18 snapshots selected out of 18
assigned columns: id type x y z
Unscaling dump …
Setting …
Traceback (most recent call last):
File “neb_combine.py”, line 62, in
back = dump(backfile)
File “/usr/local/Cellar/lammps/20220623/share/lammps/tools/python/pizza/dump.py”, line 229, in init
raise Exception(“no dump file specified”)
Exception: no dump file specified