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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