[Wien] BACKSPACE error in lapwso calculation

Md. Fhokrul Islam fislam at hotmail.com
Tue Mar 21 15:46:58 CET 2017


Hi Prof Blaha and Wien2k users,

I am running a surface supercell calculation with spin-orbit interaction using non-scf
method.  While LAPW1 worked fine and produced the energy and scf1 files correctly,
LAPWSO failed with BACKSPACE error. Please see the error message below. I have checked
the get_nloat.f file and while there is a BACKSPACE statement in line 22 but it is not
obvious to me why there is a problem to execute this line. Somewhere it seems to have
generated an 'forrtl: Invalid argument' after LAPW1 but not sure why. I am using Wien2k_16
which I have compiled with intel/2017.

 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
forrtl: Invalid argument
forrtl: severe (23): BACKSPACE error, unit 9, file /scratch/1Mn.vectordn_1
Image              PC                Routine            Line        Source
lapwso             0000000001D5AFBC  Unknown               Unknown  Unknown
lapwso             0000000001D57771  Unknown               Unknown  Unknown
lapwso             00000000004305D6  get_nloat_                 22  get_nloat.f
lapwso             0000000000419F2F  MAIN__                    144  lapwso.F
lapwso             000000000040442E  Unknown               Unknown  Unknown
libc-2.23.so       00002AF2B4B9A830  __libc_start_main     Unknown  Unknown
lapwso             0000000000404329  Unknown               Unknown  Unknown

Any suggestion will be appreciated.

Thanks,
Fhokrul
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