GEOMETRY wrong or EMAX_SPLINE too small!

Anton Kudelin archm... at gmail.com
Thu Apr 20 16:40:00 UTC 2017


Hello!

I've faced a terrific issue or bug in the cp2k code: at the very start of a 
MD simulation (see the attachment) the calculation is aborting with 
following message:

"GEOMETRY wrong or EMAX_SPLINE too small!"

Geometry is not wrong (.png, .xyz), increasing EMAX_SPLINE doesn't work at 
all, I tried values up to 1.0E120.

Thanks in advance,
Anton
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