[ase-users] FAILING TESTS

Helena Giramé Rizzo girame802 at gmail.com
Wed Apr 5 19:33:51 CEST 2017


To whom it may concern,

When I installed the ASE package, I encountered some failing tests. Then,
as mentioned in the webpage, here I attach the output file with the error
messages.

My primary intention for using ASE is to run the "minima hopping"
algorithm. I need it in order to find the global minima of some
aluminum-doped silicon clusters. I don't know if these error messages will
be an issue with regard to my final goal. I have tried to run the
"Constrained Minima Hopping (Global Optimization)", and it seems that it
works. What I could not do was to visualize the progress' graphs, but as
long as I get the position of the global minima (which is just reading the
minima.traj file, the last configuration, right?) it is fine.

Thank you for your attention,

Yours faithfully,

Helena
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