'Job did not finish' error #197
Description
Hello,
I have installed sharc4-4.0.2 , with all the prerequisites. While trying the test.py given in the sharc directory, used the job 'MOLCAS_libwfa' (19). $MOLCAS=/usr/bin is the path given for molcas and $SCRADIR=/home/anjana/SCR for the scratch directory. But it gives the error,
'Job did not finish successfully. Error code: 1'.
After checking the files written in SCR directory, (/SCR/TRAJ/QM) , the QM_err file, it shows the error
Traceback (most recent call last):
File "/home/anjana/Programs/Sharc_2/sharc4-4.0.2/bin/SHARC_MOLCAS.py", line 41, in
from constants import au2a
ImportError: cannot import name 'au2a' from 'constants' (/home/anjana/anaconda3/lib/python3.13/site-packages/constants.py)
Traceback (most recent call last):
File "/home/anjana/Programs/Sharc_2/sharc4-4.0.2/bin/SHARC_MOLCAS.py", line 41, in
from constants import au2a
ImportError: cannot import name 'au2a' from 'constants' (/home/anjana/anaconda3/lib/python3.13/site-packages/constants.py)
Traceback (most recent call last):
File "/home/anjana/Programs/Sharc_2/sharc4-4.0.2/bin/SHARC_MOLCAS.py", line 41, in
from constants import au2a
ImportError: cannot import name 'au2a' from 'constants' (/home/anjana/anaconda3/lib/python3.13/site-packages/constants.py)
The SCR directory is attached below.
Additionally, there is a problem found , which I don't know it's related to the issue stated above, Sharc is showing
*** The Python package 'tequila' was not found! ***
But actually it 's been already installed , while installing it again it shows,
Requirement already satisfied: tequila in ./anaconda3/lib/python3.13/site-packages (1.1.1)
Kindly look into the issue and suggest some solution
Thanks
Anjana