[Wien] Error During NMR Calculations

[sandeep Kumar]

Dear Professor Peter Blaha,

I am using WIEN2k 17.1 version to compute the NMR chemical shifts of a
compound. All part of calculations has completed and I also got
case.outputnmt_integ file but there were not written the final NMR chemical
shifts at the end of the file. I got this error:


[1]    Exit 41                       ( cd $dir; $exec -p $loop >>
nmr.out.${loop} ) >& nmr.err.$loop
forrtl: severe (24): end-of-file during read, unit 57, file
/home/qnt/sandeep/wien_data/C1_test/C1_test.xim_1
Image              PC                Routine            Line        Source
nmrc               00000000004DB159  Unknown               Unknown  Unknown
nmrc               000000000045F33F  sumpara_                   42
sumpara.f
nmrc               0000000000411C5E  MAIN__                     35  nmr.f
nmrc               00000000004046A6  Unknown               Unknown  Unknown
libc.so.6          000000340C81ED1D  Unknown               Unknown  Unknown
nmrc               0000000000404599  Unknown               Unknown  Unknown
forrtl: severe (24): end-of-file during read, unit 54, file
/home/qnt/sandeep/wien_data/C1_test/C1_test.current_int_x
Image              PC                Routine            Line        Source
nmrc               00000000004D68A6  Unknown               Unknown  Unknown
nmrc               00000000004300A6  read_current_int_          80
read_current_tmp_.F
nmrc               000000000043AD9E  integrate_current          34
integrate_current_tmp_.F
nmrc               0000000000411C89  MAIN__                     44  nmr.f
nmrc               00000000004046A6  Unknown               Unknown  Unknown
libc.so.6          000000340C81ED1D  Unknown               Unknown  Unknown
nmrc               0000000000404599  Unknown               Unknown  Unknown



Please suggest me what should I do?  I would be thankful to you.

Waiting eagerly for your reply!

Thanks

Sandeep
-- 
Dr. Sandeep Kumar, Post-doc
Department of Chemistry,
The Lise Meitner-Minerva Center for Computational Quantum Chemistry &
The Institute for Nanotechnology and Advanced Materials,
Bar-Ilan University, Ramat-Gan 52900, Israel
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