[Wien] segmentation error at dstart, wien2k_09

Tue Feb 17 05:07:02 CET 2009

There are something I want to add to my questions, wish to solve this
problem soon! It really got me quite frustrated

1. I realize that wherever I type "dstart", the same error emerges, even not
in the case directory.

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC        Routine            Line
Source
dstart             08069A55  Unknown               Unknown  Unknown
.                  FFFFE600  Unknown               Unknown  Unknown

2. the cpuinfo of the cluster I'm using:

processor       : 7
vendor_id       : GenuineIntel
cpu family      : 6
model           : 23
model name      : Intel(R) Xeon(R) CPU           E5410  @ 2.33GHz
stepping        : 6
cpu MHz         : 2327.505
cache size      : 6144 KB
physical id     : 1
siblings        : 4
core id         : 7
cpu cores       : 4
fpu             : yes
fpu_exception   : yes
cpuid level     : 10
wp              : yes
flags           : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca
cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm syscall nx lm pni
monitor ds_cpl est tm2 cx16 xtpr lahf_lm
bogomips        : 4655.02
clflush size    : 64
cache_alignment : 64
address sizes   : 38 bits physical, 48 bits virtual
power management:

On Mon, Feb 16, 2009 at 5:27 PM, Bo Qiu <200210qb at gmail.com> wrote:

> 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/>
>> >
>> >
>> > ------------------------------------------------------------------------
>> >
>> > _______________________________________________
>> > 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
>> 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/>
>

-- 
Thanks and Best Wishes.

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