[Wien] NMR error message

Bing Zhou luxunca at yahoo.ca
Tue Sep 10 03:31:12 CEST 2013


Dear all,
 
After running "x_nmr_lapw -mode in1 -nodes 5", "x_nmr_lapw -mode testval", "x_nmr_lapw", the following error occurred:
 
 EXECUTING:     /global/software/wien2k-13/bin/nmr -case chiolite -mode current
   -green         -scratch /scratch/       -noco
k-point    1 ... done,  timings (fopv, cs,ci, tot):   3398.72    183.55     73.9
0   3656.77
forrtl: severe (24): end-of-file during read, unit 12, file /scratch//nmr_pqx.ve
ctor
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                00000000004BD119  Unknown               Unknown  Unknown
nmr                0000000000411661  read_vector2_              64  _tmp_.f
nmr                0000000000468322  make_fopvec_green          36  _tmp_.f
nmr                0000000000445144  make_current_             117  _tmp_.f
nmr                0000000000410C7F  MAIN__                     25  nmr.f
nmr                0000000000403B2C  Unknown               Unknown  Unknown
libc.so.6          000000330961ECDD  Unknown               Unknown  Unknown
nmr                0000000000403A29  Unknown               Unknown  Unknown
stop error

Could you please let me know how to fix it?
 
Best wishes,
 
Bing
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130909/75089682/attachment.htm>


More information about the Wien mailing list