[Wien] Problem in optimize.job

[Joshua Davis]

Dear Wien2k Users

I am having trouble getting Optimize.job to run properly properly.  I have
fallowed the TiC example in the Userguide, but the code fails and the
STDOUT gives the fallowing text:

STOP DSTART ENDS
4.0u 0.0s 0:04.07 99.7% 0+0k 0+384io 0pf+0w
STOP DSTART ENDS
4.0u 0.0s 0:04.07 99.7% 0+0k 0+368io 0pf+0w
0.0u 0.0s 0:00.02 100.0% 0+0k 0+336io 0pf+0w
clmextrapol_lapw has generated a new TiCNEW.clmsum
hup: Command not found.
STOP  LAPW0 END
STOP  LAPW1 END
STOP  LAPW2 END
STOP  CORE  END
At line 852 of file mixer.F (unit = 22, file = 'TiCNEW.scf')
Fortran runtime error: Sequential READ or WRITE not allowed after EOF
marker, possibly use REWIND or BACKSPACE

>   stop error
ERROR status in TiCNEW_vol_-10.0


I do not understand why the mixer does not work as a regular SCF will
converge just fine.  I have also tried to remove any extra space at the end
of optimize.job, but the error is still given.

Our Wien2K should be 11.1 and it was compiled with gfortran 4.6.1 on Ubuntu
11.10.
Our hardware consists of 24 6-core processors with 48 Gbs of ram and 48 Gbs
of scratch.
We use Open MPI, and I believe our BLAS library is the one supplied with
Wien2K.
(I have ran plenty of regular SCF files in parallel mode (lapw#para) just
fine. However, for the problem mentioned above I have not activated
parallel mode, and I have fallowed the Userguide the best I can: 1000 k
point input, 3% RMT reduction, -6.0Ry separation, pot: PBE'96, RKmax:7.00,
GMax:12.00)

Thanks for any help

Josh
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