python gw_conv_gw.py -c ERROR

Post here any question you encounter when running the scripts of the yambo-py suite. Post here problem strictly to the python interface as problem coming from the yambo runs should go in the appropriate subforum.

Moderators: palful, amolina, mbonacci

Post Reply
S_Grillo
Posts: 5
Joined: Fri Jan 31, 2020 10:55 am

python gw_conv_gw.py -c ERROR

Post by S_Grillo » Fri Jan 31, 2020 11:07 am

Hello everyone,

I report this error from ICTP2020 Yambo school.
After running the python3 gw_conv_bn.py -c, I get the following error

nscf calculation found!
preparing yambo database
Traceback (most recent call last):
File "gw_conv_bn.py", line 238, in <module>
if args.convergence: gw_convergence()
File "gw_conv_bn.py", line 46, in gw_convergence
y = YamboIn.from_runlevel(' -p p -g n -V all',executable=yambo,folder='gw_conv')
File "/home/simone/.local/lib/python3.6/site-packages/yambopy-0.1-py3.6.egg/yambopy/io/inputfile.py", line 124, in from_runlevel
raise FileNotFoundError("\n".join(lines))
FileNotFoundError: Yambo did not create the yambo.in input file.
command: yambo -p p -g n -V all -Q
folder: gw_conv/

EDIT:
python3 bse_conv_bn.py -r -e

nscf calculation found!
Traceback (most recent call last):
File "bse_conv_bn.py", line 175, in <module>
if args.run: bse_convergence(what=what,threads=threads,nohup=nohup)
File "bse_conv_bn.py", line 52, in bse_convergence
y = YamboIn.from_runlevel('%s -b -o b -k sex -y d -V all'%yambo,folder=folder)
File "/home/simone/.local/lib/python3.6/site-packages/yambopy-0.1-py3.6.egg/yambopy/io/inputfile.py", line 124, in from_runlevel
raise FileNotFoundError("\n".join(lines))
FileNotFoundError: Yambo did not create the yambo.in input file.
command: yambo yambo -b -o b -k sex -y d -V all -Q
folder: bse_conv/


Thanks in advance

User avatar
amolina
Posts: 135
Joined: Fri Jul 15, 2011 11:23 am
Location: Valencia, Spain
Contact:

Re: python gw_conv_gw.py -c ERROR

Post by amolina » Mon Feb 03, 2020 11:22 pm

Hello,

if you are working in a linux machine, I recommend you to use anaconda to create the proper environment. An example will be:

conda create --name yambopy python=3.7 scipy matplotlib netcdf4 matplotlib

This will install all the packages that you need for yambopy. Then you just need to install yambopy as indicated in the manual.

Cheers,
Alejandro.

PS: Remember to complete your affiliation to write in the forum.
Alejandro Molina-Sánchez
Institute of Materials Science (ICMUV)
University of Valencia, Spain

Post Reply