[Wien] help:x spaghetti failed
arlonni
foursea at 163.com
Thu Sep 25 11:22:07 CEST 2008
Hi,All
when I doing the bandstructs of CdTe bulk and 211 supercell everything is ok, it is, however, strange to have errors in doing 221 supercell (P1).
number of k-points read in case.vector= 17
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
libpthread.so.0 0000003E6720DE60 Unknown Unknown Unknown
spaghetti 0000000000468669 Unknown Unknown Unknown
0.084u 0.120s 0:00.20 100.0% 0+0k 0+0io 0pf+0w
error: command /cluster/wien2k_08/spaghetti spaghetti.def failed
this is the k-points in klist_band:
GAMMA 0 0 0 4 2.0 -8.00 8.00 generated by XCrySDen
0 1 0 4 2.0
0 2 0 4 2.0
0 3 0 4 2.0
F 0 4 0 4 2.0
0 4 1 4 2.0
0 4 2 4 2.0
0 4 3 4 2.0
Q 0 4 4 4 2.0
0 3 4 4 2.0
0 2 4 4 2.0
0 1 4 4 2.0
Z 0 0 4 4 2.0
0 0 3 4 2.0
0 0 2 4 2.0
0 0 1 4 2.0
GAMMA 0 0 0 4 2.0
END
Even if, I have removed all .irrep and .qtl, this error is still.
I don't know why, and how can I correct it?
Best regards,
Long-Hua Li
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