lacourjansenlab / NISE_2017

This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
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Improve parallel information provided to users #25

Closed GHlacour closed 4 months ago

GHlacour commented 1 year ago

Is your feature request related to a problem? Please describe. After finishing or while running a calculation it require a bit of an expert user to check if the program is running properly parallel.

Describe the solution you'd like Adding a check and printing at the beginning of the calculation telling how many cores/threads are used and stopping the calculation of a non-parallel code is requested to run in parallel.

Describe alternatives you've considered No problem for advanced/experienced linux users at the moment, but adding this feature will make the program more user friendly.

Additional context None

GHlacour commented 4 months ago

This was done