[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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