[Wien] Error in NMR calculation

[SC CHUNG]

Dear All,

I ran into troubles when tried to calculate the NMR chemical shift.  I used sodium chloride (NaCl) as a test.  The scf finished nicely (in parallel mode), but when I did "x_nmr_lapw -p " (after "x_nmr_lapw -mode in1 -focus Na") I got errors.  The errors occur after the lapw2 run of the NMR calculation:

"EXECUTING:     /home/n801/src/w2k/nmr -case nacl1 -mode current    -green     -scratch /home/n801/scratch/    -noco "

The error message in "nmr.err.1" was:

"forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
nmr                000000000059F5C9  Unknown               Unknown  Unknown
nmr                000000000059DF40  Unknown               Unknown  Unknown
nmr                000000000054E7D2  Unknown               Unknown  Unknown
nmr                0000000000503AD8  Unknown               Unknown  Unknown
nmr                0000000000509D0B  Unknown               Unknown  Unknown
libpthread.so.0    0000003EF3E0F710  Unknown               Unknown  Unknown
nmr                00000000004AB0F0  make_fopvec_green         281  make_fopvec_green_tmp_.F
nmr                000000000046E419  make_current_             124  make_current_tmp_.F
nmr                000000000041608A  MAIN__                     28  nmr.f
nmr                0000000000403AD6  Unknown               Unknown  Unknown
libc.so.6          0000003EF3A1ED1D  Unknown               Unknown  Unknown
nmr                00000000004039C9  Unknown               Unknown  Unknown"

My configurations:
WIEN2k_13.1 (Release 17/6/2013)
ifort version 14.0.1
composer_xe_2013_sp1.1.106/mkl
CentOS release 6.4
Intel(R) Xeon(R) CPU E5-2667 v2 @ 3.30GHz

I also attached the stdout messages of the NMR runs.
Your help is very much appreciated.

Regards
SC Chung

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