can not start quantumatk in GUI mode

[vasilipe]

I get an error message trying to start quantumatk in an external window:

 /eng/tools/synopsys/atk/W-2024.09-SP1/atkpython/bin/quantumatk: cannot execute: required file not found

[Anders Blom]

This is the not the correct way to start the GUI. Use
/eng/tools/synopsys/atk/W-2024.09-SP1/bin/quantumatk
instead.

[vasilipe]

Thank you, Anders.
I tried it, but got the same error message:

vasilipe@nano2d(522-11:19pm)$ pwd
/eng/tools/synopsys/atk/W-2024.09-SP1/bin
vasilipe@nano2d(523-11:19pm)$ ls -la
total 20
drwxr-xr-x  2 root root 4096 May  5 09:44 .
drwxr-xr-x 16 root root 4096 Jan 28 11:32 ..
-rwxr-xr-x  1 root root 2263 Nov 21 11:15 atkpython
-rwxr-xr-x  1 root root 2263 Nov 21 11:15 atkpython_system-mpi
-rwxr-xr-x  1 root root 2356 May  5 09:44 quantumatk
vasilipe@nano2d(524-11:19pm)$ ./quantumatk
./quantumatk: line 65: /eng/tools/synopsys/atk/W-2024.09-SP1/bin/../atkpython/bin/quantumatk: cannot execute: required file not found

[filipr]

Is it possible that the installation folder was moved after the program was installed?

Try to open the file '/eng/tools/synopsys/atk/W-2024.09-SP1/atkpython/bin/quantumatk' in a simple text editor (it's a simple text file). The first line has a "shebang" (which tells the OS which program to run the file with) and should be the full path the the actual python executable with the path: '/eng/tools/synopsys/atk/W-2024.09-SP1/atkpython/bin/python3.11'. If it points to a file that does not exist it means the installation directory was moved, and the launcher script will not work. You (or your sys admin) shouldn't move the installation folder, but you can try to fix the shebang to point to a valid path.

[vasilipe]

I am sorry, my question is simpler. The program works, but only in the command line format and I can execute a QuantumATK script if it exists. My problem is that I can not run it in the window mode, where one can set up calculations by clicking with the mouse, and the addition  of --gui after the command name does not help.

[Anders Blom]

The simplest explanation would be that the installation somehow has been corrupted, although if you can run "atkpython script.py" that is less likely. Maybe just a single file ("quantumatk") has been edited by mistake...

[filipr]

Vasilipe, if you search the internet for the error message "cannot execute: required file not found" you'll see that most of the times people report this problem it is due to errors with the shebang of scripts - either the program that the shebang points to doesn't exist or there is a typo or stray whitespace/newline characters. The 'atkpython' launcher script uses the same shebang as the 'quantumatk' launcher script, so if 'atkpython' works it would be weird if 'quantumatk' doesn't. Please check that the shebang (first line) of '/eng/tools/synopsys/atk/W-2024.09-SP1/atkpython/bin/quantumatk' is the same as in  '/eng/tools/synopsys/atk/W-2024.09-SP1/atkpython/bin/atkpython'. Also check that you can run the  '/eng/tools/synopsys/atk/W-2024.09-SP1/atkpython/bin/python3.11' executable.

If you're still having problems, it could be that the installation was somehow corrupted or that your system is not supported, see https://docs.quantumatk.com/intro/installation/technical_hardware.html#linux for system requirements. I recommend contacting your system administrator as the problem is most likely due to the installation or system configuration and not the software.