[Wien] Problem in NMR Calculation

[Arvind Kumar]

Dear Prof. Blaha and Wien2k users,

I want to do NMR calculation on CoFe alloy so that I have made following
steps one by one:

1) run scf calculations (completed)
2) *x_nmr in which following steps have completed*
i) x_nmr -mode in1 (completed)
ii) x_nmr -mode lapw1 (completed)
iii) x_nmr -mode lapw2 (completed)
iv) x_nmr -mode lcore (completed)

*But I got the error in fifth command "x_nmr -mode current" which is as
below:*

EXECUTING: /home/arvind/Wien2K/nmr -case CoFe -mode current -green -scratch
./ -noco


forrtl: severe (24): end-of-file during read, unit 11, file
/home/arvind/WIEN2k/CoFe/nmr_q0/nmr_q0.vector

Image PC Routine Line Source

nmr 00000000004C3E8E Unknown Unknown Unknown

nmr 00000000004EED05 Unknown Unknown Unknown

nmr 000000000042FF4C get_nlo_ 18 get_nlo.f

nmr 000000000044B003 make_current_ 21 make_current_tmp_.F

nmr 0000000000412A26 MAIN__ 28 nmr.f

nmr 000000000040367E Unknown Unknown Unknown

libc-2.26.so 0000149B0FF4C1C1 __libc_start_main Unknown Unknown

nmr 000000000040356A Unknown Unknown Unknown

forrtl: severe (174): SIGSEGV, segmentation fault occurred

Image PC Routine Line Source

nmr 00000000004CD97D Unknown Unknown Unknown

libpthread-2.26.s 0000149B10C31150 Unknown Unknown Unknown

libiomp5.so 0000149B105A8184 Unknown Unknown Unknown

ld-2.26.so 0000149B15D44238 Unknown Unknown Unknown

libc-2.26.so 0000149B0FF66EC0 Unknown Unknown Unknown

libc-2.26.so 0000149B0FF66F1A Unknown Unknown Unknown

nmr 00000000004C503C Unknown Unknown Unknown

nmr 00000000004C3E8E Unknown Unknown Unknown

nmr 00000000004EED05 Unknown Unknown Unknown

nmr 000000000042FF4C get_nlo_ 18 get_nlo.f

nmr 000000000044B003 make_current_ 21 make_current_tmp_.F

nmr 0000000000412A26 MAIN__ 28 nmr.f

nmr 000000000040367E Unknown Unknown Unknown

libc-2.26.so 0000149B0FF4C1C1 __libc_start_main Unknown Unknown

nmr 000000000040356A Unknown Unknown Unknown


stop error

arvind at arvind-HP-Laptop-15-bs0xx:~/WIEN2k/CoFe$


I am running these calculation by Wien2k 17.1 version compiled in HP laptop
having 8GB RAM and 1 TB harddisk with mkl library with ifort+ cc compiler.


Please suggest me accordingly.


Thansk & Regards,



-- 
Dr. Arvind Kumar
Assistant Professor
Department of Physics
Atma Ram Sanatan Dharma College
(University of Delhi)
Dhaula Kuan, New Delhi-110021
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