show warning messages if the calculation takes too long time #816
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see also #737 |
mikibonacci
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Oct 8, 2024
This fixes #816 * Displaying the warning message if resources are not enough. The check and the message were already there, but not triggered/shown. * Modification for the warning message. * Adding also volume check, for low dimensional system can be useful. * Refining warning messages - not on localhost but big system and CPUs<4 - same as above, but on localhost - on localhost and more than 1 CPUs (we may not have enough slots) * adding self.input_structure check * Warning messages modified as suggested * Adding tests for warning messages --------- Co-authored-by: AndresOrtegaGuerrero <34098967+AndresOrtegaGuerrero@users.noreply.github.com>
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Is it possible to show warning messages e.g. if people select a combination of parameters that would make calculations too slow?
Can defaults be changed if we are in the demo server? If so, Carlo and Giovanni will recommend different defaults (and possibly different messages to show in some cases) E.g., clean workdir, and default protocol = Fast, and ‘structure as is’. If we can, Carlo and Giovanni can suggest when to write, and what. [@jason @edan @xing]. Add a warning (in step 3) if the calculation takes too long time, e.g. running 5 atoms in a localhost with 2 cpus.
Or more memory
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