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O2-AC / runxtb.bash

wrapper for the extended tight-binding semi-empirical program package xtb
GNU General Public License v3.0
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Error loading modules on new Lmod module system #1

Open O2-AC opened 1 year ago

O2-AC commented 1 year ago

Although changing the module names to the corresponding names in the new Lmod module system, the load_xtb_modules function returns an error.

This is due to the check integrated in the function. The output of the new module system has changed and thus no OK is echoed on succesful module load. Interestingly, when loading a module with an error the following output results:

Lmod has detected the following error: These module(s) or extension(s) exist but cannot be loaded as requested: "xtb"
   Try: "module spider xtb" to see how to load the module(s).

This line is printed directly after the concerning module:

[INFO] Module xyz loaded.
O2-AC commented 1 year ago

Modules are not loaded correctly when a submit script is created.