[Wien] segmentation error at dstart, wien2k_09
Bo Qiu
200210qb at gmail.com
Tue Feb 17 21:42:26 CET 2009
Thanks a lot, I'll surely try that
Sincerely,
Bo
On Tue, Feb 17, 2009 at 4:58 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:
> In siteconfig, choose some default option (ifort+mkl) which fits as close
> as
> possible to your versions, but NOT "generic".
>
> Use the default options, just adapt the mkl-libraries.
> Make sure, that FOPT contains -traceback, this hsould give you more info
> where the segmentation fault occurs.
>
> Bo Qiu schrieb:
> > 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 <mailto: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/>
> > <http://web.ics.purdue.edu/%7Eqiub/homepage/>
> > >
> > >
> > >
> >
> ------------------------------------------------------------------------
> > >
> > > _______________________________________________
> > > Wien mailing list
> > > Wien at zeus.theochem.tuwien.ac.at
> > <mailto:Wien at zeus.theochem.tuwien.ac.at>
> > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> > --
> >
> > 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
> > <mailto:blaha at theochem.tuwien.ac.at> WWW:
> > http://info.tuwien.ac.at/theochem/
> >
> --------------------------------------------------------------------------
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at <mailto:
> Wien at zeus.theochem.tuwien.ac.at>
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> >
> >
> >
> > --
> > Thanks and Best Wishes.
> >
> > Sincerely yours,
> > Bo Qiu
> > http://web.ics.purdue.edu/~qiub/homepage/<http://web.ics.purdue.edu/%7Eqiub/homepage/>
> >
> >
> > ------------------------------------------------------------------------
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> --
>
> 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/
> --------------------------------------------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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>
--
Thanks and Best Wishes.
Sincerely yours,
Bo Qiu
http://web.ics.purdue.edu/~qiub/homepage/
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