[Wien] error in spaghetti -up -p

arlonni foursea at 163.com
Fri Apr 3 11:07:21 CEST 2009


Dear wien2kers,
I have two cases (64 atoms), in which they have the same structure except one element is different.
1)runsp_c_lapw -orb -p
2)x lapw1 -band -orb -up -p
3)x spaghetti -up -p
the first one is OK,but the second  failed in step 3. 
 
number of k-points read in case.vector=          36
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
libpthread.so.0    000000314560DE60  Unknown               Unknown  Unknown
spaghetti          00000000004686A9  Unknown               Unknown  Unknown
 
I have removed all *.irrep* and *.qtl*, but it didn't work.
I have repeated my calculation several times, however, I got the same error information. Can you give me some suggestion? I appreciate.
 
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