Dear all,

 

I am trying to run the molecular geometry report script with the Python API on a few molecules. When the molecule is relatively small it works fine, but when I try to run it on larger systems it fails with this error message:

 

The python process did not finish before the time-out, output

 

Can anyone give any hint on how this problem could be solved?

 

Luca

Hi Luca,

When running a script via the Mercury interface, Mercury will wait for a maximum of 3 minutes for that script to complete before releasing the interface to allow it to be used again.

If the script is still running after 3 minutes then you will receive the "The python process did not finish before the time-out" error, but the script will also continue running in the background. The error message also details where the output for the script is being produced, so you can review the files there at a later time. You should be able to open the geometry report in that output folder directly once it is complete.

 

 

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