[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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