[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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