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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