[Wien] problem with dstart
Serena Corallini
serena.corallini at univ-rennes1.fr
Tue Mar 5 10:36:44 CET 2013
Dear all,
we are interesting in some calculation for different kind of
structure: the one that give the dstart problem is for the P4mm space
group with cell built from 2 Perovskite units (2xABO3) removing the
oxygen on the common face to simulate a vacancy. Initialization is ok
up to
Commandline: x dstart -c -p -c
Program input is: ""
forrtl: severe (24): end-of-file during read, unit 81, file
/home/serena/WIEN2k12/SSGO5:5/SSGO5:5.rsp
Image PC Routine Line Source
dstart 00000000004C294D Unknown Unknown Unknown
dstart 00000000004C1455 Unknown Unknown Unknown
dstart 0000000000468419 Unknown Unknown Unknown
dstart 0000000000430CEA Unknown Unknown Unknown
dstart 00000000004304E8 Unknown Unknown Unknown
dstart 000000000044521D Unknown Unknown Unknown
dstart 000000000040F60D init_ 103 init.f
dstart 000000000040E48D MAIN__ 9 dstart.f
dstart 00000000004035CC Unknown Unknown Unknown
libc.so.6 0000003E83C1D994 Unknown Unknown Unknown
dstart 00000000004034D9 Unknown Unknown Unknown
0.001u 0.001s 0:00.21 0.0% 0+0k 0+0io 14pf+0w
error: command /usr/local/wien2k12/dstart dstart.def failed
Do you have any idea how we can resolve it?
Thank you very much
Best regards
Serena
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