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polyluxus / runxtb.bash

wrapper for the extended tight-binding semi-empirical program package xtb
GNU General Public License v3.0
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Module check goes wrong #20

Closed polyluxus closed 5 years ago

polyluxus commented 5 years ago

This is probably an RWTH problem, as I am not sure how others are handling their modules, but if the module to be loaded is of the form program/version, the script will interpret that message as the module name. Indeed only echoed (on RWTH Cluster) is Loading program version [OK], but that is not caught by the regex.

[ ... ]
INFO   :  Configuration file '<<--->>/.runxtbrc' applied.
DEBUG  :  Guessed jobname is 'coord'.
DEBUG  :  Commands for xtb are 'coord'.
INFO   :  This is not the original xtb program!
INFO   :  This is only a wrapper to set paths and variables.
DEBUG  :  Using modules.
DEBUG  :  Issues loading module 'xtb6/6.1'.
DEBUG  :  module
Loading xtb6 6.1[ OK ]
NOTE the binaries:  xtb crest
ERROR  :  Failed loading modules.
DEBUG  :  removed ‘<<--->>/runxtb.err.DHhIpj’
INFO   :  Runxtb (0.2.0, 2019-02-12) wrapper script completed.