Dear Prof. Peter Blaha,
I want to do a LDA+U calculation for a compound, First I ran SCF
calculation using 4 x 8 (= 32 processors) in my cluster . But the job
terminates with the following errors
in dayfile:
*** LAPW2 crashed!*
*1.6u 3.1s 0:07.72 61.7% 0+0k 0+1776io 0pf+0w*
*error: command
Since the crash happens in lapw2, in the lapw2para_lapw script file, it
looks like messages might be written to the .time2_*, .stdout2_*, or
:parallel files depending on the settings in your parallel_options and
.machines file. So you could try checking for error messages in these
files with s
Dear wien users,
thank for your attention, based on your advise I checked “STDOUT“ and
“parallel” files . Below is the details .
*STDOUT*
.
.
.
STOP LAPW1 END
real0m5.669s
user 0m16.792s
sys 0m0.992s
STOP LAPW2 - FERMI; weighs written
STOP STOP LAPW2 END
LAPW2 E
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