[Wien] segmentation error at dstart, wien2k_09

[Bo Qiu]

Yes, I did run userconfig_lapw after siteconfig_lapw. And the lines added to
.bashrc are:

# added by WIEN2k: BEGIN
# --------------------------------------------------------
alias lsi="ls -aslp *.in*"
alias lso="ls -aslp *.ou*"
alias lsd="ls -aslp *.def"
alias lsc="ls -aslp *.cl*"
alias lss="ls -aslp *.sc*"
alias lse="ls -aslp *.error"
alias pslapw="ps -ef |grep "lapw""
alias cdw="cd /home/ba01/u110/qiub/WIEN2k"
export OMP_NUM_THREADS=1
#export LD_LIBRARY_PATH=.....
export EDITOR="vim"
export SCRATCH=./
export WIENROOT=/autohome/u110/qiub/wien2k_09
export W2WEB_CASE_BASEDIR=/home/ba01/u110/qiub/WIEN2k
export STRUCTEDIT_PATH=$WIENROOT/SRC_structeditor/bin
export PDFREADER=xpdf
export PATH=$PATH:$WIENROOT:$STRUCTEDIT_PATH:.
export OCTAVE_EXEC_PATH=${PATH}::
export OCTAVE_PATH=${STRUCTEDIT_PATH}::

export PATH=$PATH:$WIENROOT:.
ulimit -s unlimited
alias octave="octave -p $OCTAVE_PATH"
# --------------------------------------------------------
# added by WIEN2k: END


I think they are set to unlimited... one thing I forgot to mention, I
installed Wien2k_08 on the node before, and before compilation of Wien2k_09,
I just removed the Wien2k_08 folder which contains the previous version.
Could that possibly be partially the reason? Thanks a lot!

Sincerely,
Bo

On Mon, Feb 16, 2009 at 10:40 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> Did you run   userconfig_lapw ???
>
> Are your "limits" set to "unlimited" ? (Should be done by userconfig)
>
> Bo Qiu schrieb:
> > Dear Wien2k users and developlers,
> >
> > I'm trying to use Wien2k_09 recently. I compiled with intel ifort and
> > icc compiler, when inside the siteconfig, I first chose "generic", then
> > used below option:
> >
> > current:FOPT:-FR -w -mp1 -prec_div -pad -ip
> > current:FPOPT:-O
> > current:LDFLAGS:-L/opt/intel/mkl/9.1/lib/32 -FR -w -mp1 -prec_div -pad
> -ip
> > current:DPARALLEL:'-DParallel'
> > current:R_LIBS:-L/opt/intel/mkl/9.1/lib/32 -lmkl_lapack -lmkl_ia32
> > -lguide -lpthread
> > current:RP_LIBS:
> >
> > ===================================================
> > The compilation seems to be successful since the program complained no
> > error at the end.
> > However, when I tried to run a very simple test case, which is basically
> > the TiC example in the userguide, I got below error at the "x dstart"
> > step. I tried several times, but the error remained. Could you please
> > help me with that? Thanks a lot!
> >
> > forrtl: severe (174): SIGSEGV, segmentation fault occurred
> > Image              PC        Routine            Line
> > Source
> > dstart             0806984D  Unknown               Unknown  Unknown
> > .                  FFFFE440  Unknown               Unknown  Unknown
> > Unknown            00001000  Unknown               Unknown  Unknown
> > 0.000u 0.004s 0:00.05 0.0%    0+0k 1472+0io 2pf+0w
> > error: command   /autohome/u110/qiub/wien2k_09/dstart dstart.def   failed
> >
> >
> > Thanks and Best Wishes.
> >
> > Sincerely yours,
> > Bo Qiu
> > http://web.ics.purdue.edu/~qiub/homepage/<http://web.ics.purdue.edu/%7Eqiub/homepage/>
> >
> >
> > ------------------------------------------------------------------------
> >
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> > Wien at zeus.theochem.tuwien.ac.at
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>
> --
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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>



-- 
Thanks and Best Wishes.

Sincerely yours,
Bo Qiu
http://web.ics.purdue.edu/~qiub/homepage/
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