[Wien] dstart error
wasim raja Mondal
wasimr.mondal at gmail.com
Fri Jun 14 08:27:06 CEST 2013
Dear Prof. Peter Blaha and Laurence Marks
I am doing calculation with a structure having space group 194. Initially I
have faced the problem that atom 1 and atom 3 overlap. I have gone through
the mailing list and from the discussion by marks, I have solved the
problem. Now in initialization I am getting the dstart error. From the
dstart error discussion in the mailing list, I have checked that there is
no error before dstart and symmetry of the structure also has been created.
There are 24 symmetry in the *.struct file . I am facing following error:
forrtl: severe (24): end-of-file during read, unit 81, file
/home/raja/start_BaRuO3/NEW_CAL/BaRuO3_4H/cal_expe_stru/final_cal_1/final_cal_1.rsp
Image PC Routine Line
Source
dstart 00000000004BC19E Unknown Unknown Unknown
dstart 00000000004BAC36 Unknown Unknown Unknown
dstart 000000000046F082 Unknown Unknown Unknown
dstart 0000000000438D7C Unknown Unknown Unknown
dstart 000000000043829C Unknown Unknown Unknown
dstart 000000000044D854 Unknown Unknown Unknown
dstart 0000000000410468 init_ 103 init.f
dstart 000000000040F03B MAIN__ 9 dstart.f
dstart 000000000040378C Unknown Unknown Unknown
libc.so.6 00002B09D084F76D Unknown Unknown Unknown
dstart 0000000000403689 Unknown Unknown Unknown
0.0u 0.0s 0:00.00 0.0% 0+0k 0+16io 0pf+0w
error: command /home/raja/wien2k_installation/dstart dstart.def failed
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