generic error message

Ondrej Marsalek ondrej.... at gmail.com
Mon Dec 15 18:29:03 CET 2008


hi,

i have met one of those generic "condition failed" error messages. if
i remember correctly, teo wanted to have these reported. so...

by mistake, i have turned off orbital rotation for a roks calculation.
in the output, it says:

 *
 *** 18:21:24 ERRORL2 in qs_scf:init_scf_loop processor      0  err=-300   ***
 *** condition FAILED at line 1561                                         ***
 *

going to the appropriate place confirms that the cause is indeed the
need for orbital rotation with a restricted calculation.

i don't consider this a problem. as i said, i only report it because
it was asked for. perhaps teo or someone else would like to replace it
with a more specific message.

cp2k version as reported in the output:
CP2K| Last CVS entry              topology_amber.F/1.7/Sun Nov  9 01:01:02 2008

cheers,
ondrej



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