[Wien] error messages from running LAPW2

Bing Zhou luxunca at yahoo.ca
Fri Jun 13 13:33:56 CEST 2014


Dear all,

It seems I encountered LAPW2 problems whenever I run "run_lapw" or " x_nmr_lapw", I listed the error messages as below, could you please help me out? Thank you in advance!

1. error message after running " x_nmr_lapw":

           1  symmetry operations without inversion
  NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G)
 length of reciprocal lattice vectors:   0.268   0.356   0.400   0.797   1.056   1.187
  Shift of k-mesh allowed. Do you want to shift: (0=no, 1=shift)
           1  k-points generated, ndiv=           1           1           1
KGEN ENDS
0.000u 0.003s 0:01.29 0.0%      0+0k 1864+40io 1pf+0w
rm: cannot remove `nmr_testvec/nmr_testvec.energydn': No such file or directory
rm: cannot remove `nmr_testvec': Directory not empty
mkdir: cannot create directory `nmr_testvec': File exists
 _nb in dscgst.F         640         128
 LAPW1 END
4380.751u 5.255s 1:13:07.09 99.9%       0+0k 0+2688640io 0pf+0w
LAPW2 - Error. Check file lapw2.error
0.004u 0.005s 0:01.15 0.0%      0+0k 0+8io 0pf+0w

 EXECUTING:     /global/software/wien2k-13-2/bin/nmr -case howlite-orig -mode testval  -ietest 1000000   -scratch /scratch/

forrtl: severe (24): end-of-file during read, unit 21, file /global/scratch/umbingz/howlite-orig/nmr_testvec/nmr_testvec.weigh
Image              PC                Routine            Line        Source
nmr                000000000053D38A  Unknown               Unknown  Unknown
nmr                000000000053BE86  Unknown               Unknown  Unknown
nmr                00000000004EE990  Unknown               Unknown  Unknown
nmr                00000000004A8E7F  Unknown               Unknown  Unknown
nmr                00000000004A8387  Unknown               Unknown  Unknown
nmr                00000000004C5F69  Unknown               Unknown  Unknown
nmr                0000000000429E24  read_weigh1_               18  read_weigh.f
nmr                000000000045D315  make_vectest_              39  make_vectest.f
nmr                000000000040FF13  MAIN__                     23  nmr.f
nmr                0000000000402CAC  Unknown               Unknown  Unknown
libc.so.6          00000036E901ED1D  Unknown               Unknown  Unknown
nmr                0000000000402BA9  Unknown               Unknown  Unknown

stop error

2. error message after running " run_lapw":


inderite-1976.broyd* files present ! You did not save_lapw a previous clculation.
You have 60 seconds to kill this job ( ^C   or   kill 19132 )
or the script will rm *.broyd* and continue (use -NI to avoid automatic rm)
 LAPW0 END
 LAPW1 END
LAPW2 - Error. Check file lapw2.error

>   stop error



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