generic error message
ondrej.... at gmail.com
Mon Dec 15 18:29:03 CET 2008
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
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