subject:"\[Wien\] lapwso crash"

[Wien] lapwso crash

2012-02-13 Thread Nilton

Dear Gavin,
actually, the Update 3 don't work in my case, but Update sp1.8.273 works
very well.
Nilton

2012/2/10 Nilton 

> Dear Gavin,
> thanks a lot for the clues. I will to try.
> Nilton
>
>
> 2012/2/10 Gavin Abo 
>
>>  Dear Nilton,
>>
>> The following steps might be useful:
>>
>> (1) You reported that you are using Update 2 of composer xe 2011. I would
>> suggested trying Update 3, since there seems to be a lot of success with
>> this compiler version.  If the error goes away with your compiler settings,
>> then you will know that the cause is coming from the compiler.
>>
>> It seems users are running into SIGSEGV errors during runtime with
>> composer xe 2011 versions. Furthermore, this problem seems particular to
>> systems with Intel "Xeon" processors (and maybe only those that are x64).
>> Falling back on Update 3 or an ifort 11 usually provided a solution.
>>
>> (2) If you add "-g" your compiler options, it might give more details on
>> the cause of the SIGSEGV error.
>>
>> (3) The links below list some causes and troubleshooting tips for SIGSEGV
>> errors.
>>
>> http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html
>>
>> http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/
>>
>> Hope this helps,
>>
>> Gavin
>>
>>
>> On 2/9/2012 2:36 PM, Nilton wrote:
>>
>> Dear Peter,
>>
>> I dont think so. I have used case.inso generated by initso_lapw. See
>> below his content.
>>
>> WFFIL
>> 4  0  0 llmax,ipr,kpot
>> -10  1.5Emin, Emax
>> 0 0 1   h,k,l (direction of magnetization)
>>  0   number of atoms with RLO
>> 0  0 number of atoms without SO, atomnumbers
>>
>>
>>
>>
>>
>> --
>> Nilton S. Dantas
>> Universidade Estadual de Feira de Santana
>> Departamento de Ci?ncias Exatas
>> ?rea de Inform?tica
>> Av. Transnordestina, S/N, Bairro Novo Horizonte
>> CEP 44036900 - Feira de Santana, Bahia, Brasil
>> Tel./Fax +55 75 31618086
>> http://www2.ecomp.uefs.br/ 
>>
>>
>>
>> ___
>> Wien mailing listWien at 
>> zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>>
>>
>> ___
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>>
>
>
> --
> Nilton S. Dantas
> Universidade Estadual de Feira de Santana
> Departamento de Ci?ncias Exatas
> ?rea de Inform?tica
> Av. Transnordestina, S/N, Bairro Novo Horizonte
> CEP 44036900 - Feira de Santana, Bahia, Brasil
> Tel./Fax +55 75 31618086
> http://www2.ecomp.uefs.br/ 
>
>


-- 
Nilton S. Dantas
Universidade Estadual de Feira de Santana
Departamento de Ci?ncias Exatas
?rea de Inform?tica
Av. Transnordestina, S/N, Bairro Novo Horizonte
CEP 44036900 - Feira de Santana, Bahia, Brasil
Tel./Fax +55 75 31618086
http://www2.ecomp.uefs.br/ 
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[Wien] lapwso crash

2012-02-13 Thread Gavin Abo

Nilton,

That's surprising.  Usually, Update 3 works and Update 8 doesn't.  I can 
only guess that it is because you are using the static mkl libraries, 
whereas the dynamic libraries were likely used in other cases.  Anyway, 
glad to hear that Update 8 is working well for you.

Gavin

On 2/13/2012 7:12 AM, Nilton wrote:
> Dear Gavin,
> actually, the Update 3 don't work in my case, but Update sp1.8.273 
> works very well.
> Nilton
>
> 2012/2/10 Nilton  >
>
> Dear Gavin,
> thanks a lot for the clues. I will to try.
> Nilton
>
>
> 2012/2/10 Gavin Abo  >
>
> Dear Nilton,
>
> The following steps might be useful:
>
> (1) You reported that you are using Update 2 of composer xe
> 2011. I would suggested trying Update 3, since there seems to
> be a lot of success with this compiler version.  If the error
> goes away with your compiler settings, then you will know that
> the cause is coming from the compiler.
>
> It seems users are running into SIGSEGV errors during runtime
> with composer xe 2011 versions. Furthermore, this problem
> seems particular to systems with Intel "Xeon" processors (and
> maybe only those that are x64).  Falling back on Update 3 or
> an ifort 11 usually provided a solution.
>
> (2) If you add "-g" your compiler options, it might give more
> details on the cause of the SIGSEGV error.
>
> (3) The links below list some causes and troubleshooting tips
> for SIGSEGV errors.
>
> http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html
> 
> http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/
>
> Hope this helps,
>
> Gavin
>
>
> On 2/9/2012 2:36 PM, Nilton wrote:
>> Dear Peter,
>>
>> I dont think so. I have used case.inso generated by
>> initso_lapw. See below his content.
>>
>> WFFIL
>> 4  0  0 llmax,ipr,kpot
>> -10  1.5Emin, Emax
>> 0 0 1   h,k,l (direction of
>> magnetization)
>>  0   number of atoms with RLO
>> 0  0 number of atoms without SO, atomnumbers
>>
>>
>>
>>
>>
>> -- 
>> Nilton S. Dantas
>> Universidade Estadual de Feira de Santana
>> Departamento de Ci?ncias Exatas
>> ?rea de Inform?tica
>> Av. Transnordestina, S/N, Bairro Novo Horizonte
>> CEP 44036900 - Feira de Santana, Bahia, Brasil
>> Tel./Fax +55 75 31618086 
>> http://www2.ecomp.uefs.br/ 
>>
>>
>>
>> ___
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at  > zeus.theochem.tuwien.ac.at>
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> 
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
>
> -- 
> Nilton S. Dantas
> Universidade Estadual de Feira de Santana
> Departamento de Ci?ncias Exatas
> ?rea de Inform?tica
> Av. Transnordestina, S/N, Bairro Novo Horizonte
> CEP 44036900 - Feira de Santana, Bahia, Brasil
> Tel./Fax +55 75 31618086 
> http://www2.ecomp.uefs.br/ 
>
>
>
>
> -- 
> Nilton S. Dantas
> Universidade Estadual de Feira de Santana
> Departamento de Ci?ncias Exatas
> ?rea de Inform?tica
> Av. Transnordestina, S/N, Bairro Novo Horizonte
> CEP 44036900 - Feira de Santana, Bahia, Brasil
> Tel./Fax +55 75 31618086
> http://www2.ecomp.uefs.br/ 
>
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

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[Wien] lapwso crash

2012-02-10 Thread Nilton

Dear Gavin,
thanks a lot for the clues. I will to try.
Nilton

2012/2/10 Gavin Abo 

>  Dear Nilton,
>
> The following steps might be useful:
>
> (1) You reported that you are using Update 2 of composer xe 2011. I would
> suggested trying Update 3, since there seems to be a lot of success with
> this compiler version.  If the error goes away with your compiler settings,
> then you will know that the cause is coming from the compiler.
>
> It seems users are running into SIGSEGV errors during runtime with
> composer xe 2011 versions. Furthermore, this problem seems particular to
> systems with Intel "Xeon" processors (and maybe only those that are x64).
> Falling back on Update 3 or an ifort 11 usually provided a solution.
>
> (2) If you add "-g" your compiler options, it might give more details on
> the cause of the SIGSEGV error.
>
> (3) The links below list some causes and troubleshooting tips for SIGSEGV
> errors.
>
> http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html
>
> http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/
>
> Hope this helps,
>
> Gavin
>
>
> On 2/9/2012 2:36 PM, Nilton wrote:
>
> Dear Peter,
>
> I dont think so. I have used case.inso generated by initso_lapw. See below
> his content.
>
> WFFIL
> 4  0  0 llmax,ipr,kpot
> -10  1.5Emin, Emax
> 0 0 1   h,k,l (direction of magnetization)
>  0   number of atoms with RLO
> 0  0 number of atoms without SO, atomnumbers
>
>
>
>
>
> --
> Nilton S. Dantas
> Universidade Estadual de Feira de Santana
> Departamento de Ci?ncias Exatas
> ?rea de Inform?tica
> Av. Transnordestina, S/N, Bairro Novo Horizonte
> CEP 44036900 - Feira de Santana, Bahia, Brasil
> Tel./Fax +55 75 31618086
> http://www2.ecomp.uefs.br/ 
>
>
>
> ___
> Wien mailing listWien at 
> zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>


-- 
Nilton S. Dantas
Universidade Estadual de Feira de Santana
Departamento de Ci?ncias Exatas
?rea de Inform?tica
Av. Transnordestina, S/N, Bairro Novo Horizonte
CEP 44036900 - Feira de Santana, Bahia, Brasil
Tel./Fax +55 75 31618086
http://www2.ecomp.uefs.br/ 
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[Wien] lapwso crash

2012-02-09 Thread Gavin Abo

Dear Nilton,

The following steps might be useful:

(1) You reported that you are using Update 2 of composer xe 2011. I 
would suggested trying Update 3, since there seems to be a lot of 
success with this compiler version.  If the error goes away with your 
compiler settings, then you will know that the cause is coming from the 
compiler.

It seems users are running into SIGSEGV errors during runtime with 
composer xe 2011 versions. Furthermore, this problem seems particular to 
systems with Intel "Xeon" processors (and maybe only those that are 
x64).  Falling back on Update 3 or an ifort 11 usually provided a solution.

(2) If you add "-g" your compiler options, it might give more details on 
the cause of the SIGSEGV error.

(3) The links below list some causes and troubleshooting tips for 
SIGSEGV errors.

http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html
http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors/

Hope this helps,

Gavin

On 2/9/2012 2:36 PM, Nilton wrote:
> Dear Peter,
>
> I dont think so. I have used case.inso generated by initso_lapw. See 
> below his content.
>
> WFFIL
> 4  0  0 llmax,ipr,kpot
> -10  1.5Emin, Emax
> 0 0 1   h,k,l (direction of magnetization)
>  0   number of atoms with RLO
> 0  0 number of atoms without SO, atomnumbers
>
>
>
>
>
> -- 
> Nilton S. Dantas
> Universidade Estadual de Feira de Santana
> Departamento de Ci?ncias Exatas
> ?rea de Inform?tica
> Av. Transnordestina, S/N, Bairro Novo Horizonte
> CEP 44036900 - Feira de Santana, Bahia, Brasil
> Tel./Fax +55 75 31618086
> http://www2.ecomp.uefs.br/ 
>
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

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[Wien] lapwso crash

2012-02-09 Thread Nilton

Dear Peter,

I dont think so. I have used case.inso generated by initso_lapw. See below
his content.

WFFIL
4  0  0 llmax,ipr,kpot
-10  1.5Emin, Emax
0 0 1   h,k,l (direction of magnetization)
 0   number of atoms with RLO
0  0 number of atoms without SO, atomnumbers





-- 
Nilton S. Dantas
Universidade Estadual de Feira de Santana
Departamento de Ci?ncias Exatas
?rea de Inform?tica
Av. Transnordestina, S/N, Bairro Novo Horizonte
CEP 44036900 - Feira de Santana, Bahia, Brasil
Tel./Fax +55 75 31618086
http://www2.ecomp.uefs.br/ 
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[Wien] lapwso crash

2012-02-08 Thread Peter Blaha

Wrong case.inso file ???

Am 08.02.2012 20:49, schrieb Nilton:
> Dear wien users,
>
> I am calculating band structure of PbS with SO coupling. When I run
> lapwso I got the error mensage
> --
> [nilton at bodesking case]$ x lapwso
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image  PCRoutineLineSource
> lapwso 0040E8DF  Unknown   Unknown  Unknown
> lapwso 00422B14  Unknown   Unknown  Unknown
> lapwso 004002EC  Unknown   Unknown  Unknown
> lapwso 00E7A840  Unknown   Unknown  Unknown
> lapwso 004001B9  Unknown   Unknown  Unknown
> 0.005u 0.000s 0:00.00 0.0%  0+0k 0+0io 0pf+0w
> error: command   /home/nilton/wien2k/lapwso lapwso.def   failed
>
>
> My sistem is an xeon quadcore PC. The lapwso was compiled with intel
> fortran composerxe-2011.2.137 and the OPTIONS is
>
> -
> current: FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -traceback -I$(MKLROOT)/include/intel64/lp64 -I$(MKLROOT)/include
> current: FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
> current: LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/intel64 -static -pthread
> current: DPARALLEL:'-DParallel'
> current: R_LIBS:$(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a
> $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a
> $(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group
> $(MKLROOT)/lib/intel64/libmkl_cdft_core.a
> $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a
> $(MKLROOT)/lib/intel64/libmkl_intel_thread.a
> $(MKLROOT)/lib/intel64/libmkl_core.a
> $(MKLROOT)/lib/intel64/libmkl_blacs_lp64.a -Wl,--end-group -openmp
> -lpthread -lm
> current: RP_LIBS:/usr/local/fftw/lib/libfftw_mpi.a
> /usr/local/fftw/lib/libfftw.a /home/nilton/mpich-1.2.7p1/lib/libmpich.a
> $(R_LIBS)
> current: MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
> --
>
> I have tried to recompile with dynamic libraries and the crash still remain.
> Thanks in advance for any help.
> Nilton
> --
> Nilton S. Dantas
> Universidade Estadual de Feira de Santana
> Departamento de Ci?ncias Exatas
> ?rea de Inform?tica
> Av. Transnordestina, S/N, Bairro Novo Horizonte
> CEP 44036900 - Feira de Santana, Bahia, Brasil
> Tel./Fax +55 75 31618086
> http://www2.ecomp.uefs.br/ 
>
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671

[Wien] lapwso crash

2012-02-08 Thread Nilton

Dear wien users,

I am calculating band structure of PbS with SO coupling. When I run lapwso
I got the error mensage
--
[nilton at bodesking case]$ x lapwso
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image  PCRoutineLine
Source
lapwso 0040E8DF  Unknown   Unknown  Unknown
lapwso 00422B14  Unknown   Unknown  Unknown
lapwso 004002EC  Unknown   Unknown  Unknown
lapwso 00E7A840  Unknown   Unknown  Unknown
lapwso 004001B9  Unknown   Unknown  Unknown
0.005u 0.000s 0:00.00 0.0%  0+0k 0+0io 0pf+0w
error: command   /home/nilton/wien2k/lapwso lapwso.def   failed


My sistem is an xeon quadcore PC. The lapwso was compiled with intel
fortran composerxe-2011.2.137 and the OPTIONS is

-
current: FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-I$(MKLROOT)/include/intel64/lp64 -I$(MKLROOT)/include
current: FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
current: LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/intel64 -static -pthread
current: DPARALLEL:'-DParallel'
current: R_LIBS:$(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a
$(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a
$(MKLROOT)/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group
$(MKLROOT)/lib/intel64/libmkl_cdft_core.a
$(MKLROOT)/lib/intel64/libmkl_intel_lp64.a
$(MKLROOT)/lib/intel64/libmkl_intel_thread.a
$(MKLROOT)/lib/intel64/libmkl_core.a
$(MKLROOT)/lib/intel64/libmkl_blacs_lp64.a -Wl,--end-group -openmp
-lpthread -lm
current: RP_LIBS:/usr/local/fftw/lib/libfftw_mpi.a
/usr/local/fftw/lib/libfftw.a /home/nilton/mpich-1.2.7p1/lib/libmpich.a
$(R_LIBS)
current: MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
--

I have tried to recompile with dynamic libraries and the crash still remain.
Thanks in advance for any help.
Nilton
-- 
Nilton S. Dantas
Universidade Estadual de Feira de Santana
Departamento de Ci?ncias Exatas
?rea de Inform?tica
Av. Transnordestina, S/N, Bairro Novo Horizonte
CEP 44036900 - Feira de Santana, Bahia, Brasil
Tel./Fax +55 75 31618086
http://www2.ecomp.uefs.br/ 
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[Wien] lapwso crash

[Wien] lapwso crash

[Wien] lapwso crash

[Wien] lapwso crash

[Wien] lapwso crash

[Wien] lapwso crash

[Wien] lapwso crash

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