[Wien] issue in initialising calculation

Laurence Marks laurence.marks at gmail.com
Wed May 17 13:53:36 CEST 2023


As the error command states, there is something wrong with the file. Open
it up and read it. Did you also accept all suggested changes during the
initialisation? Probably you made a mistake their, or your struct file is
bad.

Beyond that it is unlikely that anyone can give specifics without
information such as your case.struct file.

--
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering, Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi

On Wed, May 17, 2023, 05:34 Neetu Malik <9015neetu at gmail.com> wrote:

>  Dear team,
> I am getting below error while performing initialisation of calculation.
> Please guide.
> Thanks and Regards.
>
> At line 127 of file init.F (unit = 15, file = 'Sr2ZnWO6.in2')
> Fortran runtime error: Bad value during integer read
>
> Error termination. Backtrace:
> #0  0x154ce4e23ad0 in ???
> #1  0x154ce4e24649 in ???
> #2  0x154ce4e2527f in ???
> #3  0x154ce50756b7 in ???
> #4  0x154ce5079e04 in ???
> #5  0x154ce507b135 in ???
> #6  0x154ce5077eaa in ???
> #7  0x55ebe8193695 in ???
> #8  0x55ebe8191b1d in ???
> #9  0x55ebe818804e in ???
> #10  0x154ce4a29d8f in __libc_start_call_main
> 	at ../sysdeps/nptl/libc_start_call_main.h:58
> #11  0x154ce4a29e3f in __libc_start_main_impl
> 	at ../csu/libc-start.c:392
> #12  0x55ebe81880d4 in ???
> #13  0xffffffffffffffff in ???
> 0.199u 0.306s 0:00.13 376.9%	0+0k 0+16io 0pf+0w
> error: command   /home/neetu/Desktop/wien/dstart dstart.def   failed
>
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