[Wien] the error of "nmr_q0.weigh" for NMR calculations
Bing Zhou
luxunca at yahoo.ca
Thu Nov 21 05:46:23 CET 2013
Dear all,
My NMR calculations using "x_nmr_lapw -mode current -filt_curr_o 0 0" kept failed with the following error message:
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 21, file /global/scratch/umbingz/ulexite-opt-40atoms/nmr_q0/nmr_q0.weigh
Image PC Routine Line Source
nmr 00000000005343AA Unknown Unknown Unknown
nmr 0000000000532EA6 Unknown Unknown Unknown
nmr 00000000004E5B40 Unknown Unknown Unknown
nmr 00000000004A002F Unknown Unknown Unknown
nmr 000000000049F537 Unknown Unknown Unknown
nmr 00000000004AD9CD Unknown Unknown Unknown
nmr 0000000000429721 open_units_ 124 open_units.f
nmr 0000000000412497 init_nmr_ 149 init_nmr.f
nmr 0000000000410BE8 MAIN__ 8 nmr.f
nmr 0000000000403B2C Unknown Unknown Unknown
libc.so.6 0000003DF141ECDD Unknown Unknown Unknown
nmr 0000000000403A29 Unknown Unknown Unknown
stop error
It seems I need the file of "nmr_q0.weigh" for the NMR calculations, could you please let me know how to produce such a file?
Thank you in advance!
Bing
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