Dear Alex,
Thanks for the update.
Now with the updated version from GitHub, I am getting the following error after both polar and non-polar run:
2019-11-22 12:11:58,651 INFO RUNNING fw_id: 10 in directory: /home/tddft/Project/atomate_check/ferroelectric/BaTiO3_new/launcher_2019-11-22-06-41-58-640980
2019-11-22 12:11:58,654 INFO Task started: {{atomate.vasp.firetasks.write_inputs.WriteVaspFromIOSetFromInterpolatedPOSCAR}}.
Traceback (most recent call last):
File "/usr/local/lib/python3.7/site-packages/fireworks/core/rocket.py", line 262, in run
m_action = t.run_task(my_spec)
File "/usr/local/lib/python3.7/site-packages/atomate-0.9.4-py3.7.egg/atomate/vasp/firetasks/write_inputs.py", line 96, in run_task
structure = GetInterpolatedPOSCAR.interpolate_poscar(self, fw_spec)
File "/usr/local/lib/python3.7/site-packages/atomate-0.9.4-py3.7.egg/atomate/vasp/firetasks/glue_tasks.py", line 263, in interpolate_poscar
name_append="_0").run_task(fw_spec=fw_spec)
File "/usr/local/lib/python3.7/site-packages/atomate-0.9.4-py3.7.egg/atomate/common/firetasks/glue_tasks.py", line 126, in run_task
fileclient.copy(prev_path_full, dest_path)
File "/usr/local/lib/python3.7/site-packages/atomate-0.9.4-py3.7.egg/atomate/utils/fileio.py", line 111, in copy
shutil.copy2(src, dest)
File "/usr/local/lib/python3.7/shutil.py", line 257, in copy2
copyfile(src, dst, follow_symlinks=follow_symlinks)
File "/usr/local/lib/python3.7/shutil.py", line 120, in copyfile
with open(src, 'rb') as fsrc:
FileNotFoundError: [Errno 2] No such file or directory: '/home/tddft/Project/atomate_check/ferroelectric/BaTiO3_new/launcher_2019-11-22-06-37-11-438984/CONTCAR'
2019-11-22 12:11:58,671 INFO Rocket finished
However, this problem is solved when I set {‘gzip_output’: False} in run_calc.py inside /atomate/vasp/firetasks at line no. 122.
Best,
Bikash