Re: [Wien] Regarding Band structure error

[Peter Blaha]

The error says:   end of file of  /home/arvind/arvind.in1c

You should NEVER do calculations in your home-directory.

When you make a new session in w2web, you MUST always also create a 
directory and change into it.


When you create the next new session and you use again your 
home-directory, it will lead to crashes and unpredictable behavior due 
to mixing of files of different sessions.


Am 04.06.2019 um 03:00 schrieb Gavin Abo:
That in1c error should be due to a previously reported bug in version 
17.1 [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17353.html 
].  Since using the fixed band.pl and scf.pl files in the mailing list 
archive will not fix all the other problems with 17.1, I recommend that 
you use WIEN2k 18.2 as it has all the fixes and improvements mentioned 
on the WIEN2k updates webpage [ 
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ].  You will also 
want to patch 18.2 based on past mailing list archive posts.  Some of 
them I have compiled in a README file at:


https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2

On 6/3/2019 6:51 AM, Arvind Kumar wrote:

Dear Sir,
   I am running Wien2K 17.1 in my laptop (configured with 
ubuntu 18.4 with RAM 16GB). I am facing following error in band 
structure with all the compounds.

Commandline:*x lapw1 -band *

Program input is:*""*

forrtl: severe (24): end-of-file during read, unit 5, file 
/home/arvind/arvind.in1c
Image  PCRoutineLineSource
lapw1c 0046C05E  Unknown   Unknown  Unknown
lapw1c 0049F585  Unknown   Unknown  Unknown
lapw1c 00442690  parallel_mp_init_  75  
modules_tmp_.F
lapw1c 00416972  gtfnam_89  
gtfnam_tmp_.F
lapw1c 004331E9  MAIN__ 35  lapw1_tmp_.F
lapw1c 0040457E  Unknown   Unknown  Unknown
libc-2.27.so  14DD2EDC0B97  __libc_start_main  
   Unknown  Unknown
lapw1c 0040446A  Unknown   Unknown  Unknown
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command   /home/arvind/Wien2K/lapw1c lapw1.def   failed


Please suggest me accordingly.

with regards,
Dr. Arvind Kumar
Assistant Professor
Department of Physics
Atma Ram Sanatan Dharma College
(University of Delhi)
Dhaula Kuan, New Delhi-110021


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



--
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha- 


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding Band structure error

[Gavin Abo]

That in1c error should be due to a previously reported bug in version 
17.1 [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17353.html 
].  Since using the fixed band.pl and scf.pl files in the mailing list 
archive will not fix all the other problems with 17.1, I recommend that 
you use WIEN2k 18.2 as it has all the fixes and improvements mentioned 
on the WIEN2k updates webpage [ 
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ].  You will also 
want to patch 18.2 based on past mailing list archive posts.  Some of 
them I have compiled in a README file at:


https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2

On 6/3/2019 6:51 AM, Arvind Kumar wrote:

Dear Sir,
   I am running Wien2K 17.1 in my laptop (configured with 
ubuntu 18.4 with RAM 16GB). I am facing following error in band 
structure with all the compounds.

Commandline:*x lapw1 -band *

Program input is:*""*

forrtl: severe (24): end-of-file during read, unit 5, file 
/home/arvind/arvind.in1c
Image  PCRoutineLineSource
lapw1c 0046C05E  Unknown   Unknown  Unknown
lapw1c 0049F585  Unknown   Unknown  Unknown
lapw1c 00442690  parallel_mp_init_  75  
modules_tmp_.F
lapw1c 00416972  gtfnam_89  
gtfnam_tmp_.F
lapw1c 004331E9  MAIN__ 35  lapw1_tmp_.F
lapw1c 0040457E  Unknown   Unknown  Unknown
libc-2.27.so  14DD2EDC0B97  __libc_start_main  
   Unknown  Unknown
lapw1c 0040446A  Unknown   Unknown  Unknown
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command   /home/arvind/Wien2K/lapw1c lapw1.def   failed


Please suggest me accordingly.

with regards,
Dr. Arvind Kumar
Assistant Professor
Department of Physics
Atma Ram Sanatan Dharma College
(University of Delhi)
Dhaula Kuan, New Delhi-110021
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[Lyudmila Dobysheva]

12.09.2013 16:27, sikandar azam wrote:

 please sir find the files in the attachment which you asked from

Dear Sikander,
I do not see anything bad in your files except compexity, and I obtained 
a spaghetti's figure with success (without scf cycle). A suspicious 
place in your letters is number of k-points. For spaghetti calculations 
you have to take a special klist file from the templates. In your case 
(simple cubic structure) it should be simple_cubic.klist with 51 k-points.

You have done a lapw1 calculation (from your scf1 file) with
:KPT   :  NUMBER OF K-POINTS:   251

Thus, you have taken some other file which you had constructed in some way.
1) maybe it was wrongly constructed, you didn't send it.
2) the calculation is rather huge even for 51 k-points, 251 k-point 
should occupy about 70 GB of disk space for vector file. Maybe a problem 
hides here.


So, do take the template file for spaghetti simple_cubic.klist:
Start from self-consistent solution, clm files, in a new directory;
make x lapw0
copy this simple_cubic.klist to your case.klist_band
make x lapw1 -band
and x spaghetti
if problem persists, send more information and details.

Best wishes
  Lyudmila Dobysheva
--
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
--
Tel.:7(3412) 442118 (home), 218988(office), 722529(Fax)
E-mail: l...@ftiudm.ru
lyuk...@mail.ru (office) lyuk...@gmail.com (home)
Skype:  lyuka17 (home), lyuka18 (office)
http://fti.udm.ru/content/view/25/103/lang,english/
--


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[sikandar azam]

Dear Yasir Ali
I already used both the commands 4 times i used x spaghetti and 2 times x 
spaghetti -c



 From: Yasir Ali yasiralikhan...@yahoo.com
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at 
Sent: Wednesday, September 11, 2013 6:21 AM
Subject: Re: [Wien] Regarding band structure
 


I do not know the reason but it may work.
Instead of giving command x spaghetti -c give onlyx spaghetti.I assume this 
will work as it have worked for me many times.


 





Regards: 
Yasir Ali
Scientific  Officer
NINVAST
NCP Complex
 Quaid Azam University 
Islamabad Pakistan




 From: Gavin Abo gs...@crimson.ua.edu
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at 
Sent: Tuesday, September 10, 2013 10:03 PM
Subject: Re: [Wien] Regarding band structure
 




Your approach is correct. I do not see anything wrong. When I run x 
spaghetti, this is what I see 
SPAGH: Read band energy from case.output1 number of k-points read in 
case.vector=  51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w
I am curious, why don't you have the 1st line? Is *.output1 in place? Other 
than that: no idea. Sorry.

This may be a new line printed by Wien2k 13.1.  So likely an older version is 
being used.


On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.com wrote:

Hello all
I am facing the problem in plotting the band structure, especially for big 
compounds like biological compounds.
I get this problem
Commandline: x spaghetti -c
Program input is:  


number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed 
please some one help me.
thanks in advance
with regards
sikander Azam 

This is similar to a previously reported error:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

To know if it solves the problem or not, the user would have to
  apply the fix to the old verison or use 13.1.  If it doesn't solve
  the problem, the user could do more debugging, the Intel article
  at the following link might help:

http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[Peter Blaha]

Did you read the previous post as mentioned by Gavin Abo ???

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

Which version of WIEN2k are you using (cat $WIENROOT/VERSION) ??

look into case.scf1  How many eigenvalues are printed ???


On 09/11/2013 09:22 AM, sikandar azam wrote:

Dear Yasir Ali
I already used both the commands 4 times i used x spaghetti and 2 times
x spaghetti -c


*From:* Yasir Ali yasiralikhan...@yahoo.com
*To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
*Sent:* Wednesday, September 11, 2013 6:21 AM
*Subject:* Re: [Wien] Regarding band structure

I do not know the reason but it may work.
Instead of giving command *x spaghetti -c* give only***x
spaghetti*.I assume this will work as it have worked for me many times.*
*






Regards:
Yasir Ali
Scientific  Officer
NINVAST
NCP Complex
  Quaid Azam University
Islamabad Pakistan


*From:* Gavin Abo gs...@crimson.ua.edu
*To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
*Sent:* Tuesday, September 10, 2013 10:03 PM
*Subject:* Re: [Wien] Regarding band structure



Your approach is correct. I do not see anything wrong. When I run x
spaghetti, this is what I see
SPAGH: Read band energy from case.output1
  number of k-points read in case.vector=  51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w
I am curious, why don't you have the 1st line? Is *.output1 in place?
Other than that: no idea. Sorry.


This may be a new line printed by Wien2k 13.1.  So likely an older
version is being used.


On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam
sikandar...@yahoo.com mailto:sikandar...@yahoo.com wrote:

Hello all
I am facing the problem in plotting the band structure,
especially for big compounds like biological compounds.
I get this problem
Commandline: *x spaghetti -c*
Program input is: **

  number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   
failed

please some one help me.
thanks in advance
with regards
sikander Azam




This is similar to a previously reported error:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

To know if it solves the problem or not, the user would have to apply
the fix to the old verison or use 13.1.  If it doesn't solve the
problem, the user could do more debugging, the Intel article at the
following link might help:

http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html




___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



--

  P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWWW: 
http://info.tuwien.ac.at/theochem/

--
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[sikandar azam]

Dear Sir Peter Blaha
I checked the the case.scfi and i have 28 eigen valves. And the number of 
selected k-points 252. and dear sir Arshad i didn't run in the parallal.
with regards
sikander



 From: Peter Blaha pbl...@theochem.tuwien.ac.at
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at 
Sent: Wednesday, September 11, 2013 10:16 AM
Subject: Re: [Wien] Regarding band structure
 

Did you read the previous post as mentioned by Gavin Abo ???

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

Which version of WIEN2k are you using (cat $WIENROOT/VERSION) ??

look into case.scf1  How many eigenvalues are printed ???


On 09/11/2013 09:22 AM, sikandar azam wrote:
 Dear Yasir Ali
 I already used both the commands 4 times i used x spaghetti and 2 times
 x spaghetti -c

 
 *From:* Yasir Ali yasiralikhan...@yahoo.com
 *To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
 *Sent:* Wednesday, September 11, 2013 6:21 AM
 *Subject:* Re: [Wien] Regarding band structure

 I do not know the reason but it may work.
 Instead of giving command *x spaghetti -c* give only***x
 spaghetti*.I assume this will work as it have worked for me many times.*
 *






 Regards:
 Yasir Ali
 Scientific  Officer
 NINVAST
 NCP Complex
   Quaid Azam University
 Islamabad Pakistan

 
 *From:* Gavin Abo gs...@crimson.ua.edu
 *To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
 *Sent:* Tuesday, September 10, 2013 10:03 PM
 *Subject:* Re: [Wien] Regarding band structure


 Your approach is correct. I do not see anything wrong. When I run x
 spaghetti, this is what I see
 SPAGH: Read band energy from case.output1
   number of k-points read in case.vector=          51
 SPAGH END
 0.043u 0.026s 0:00.07 85.7%    0+0k 0+0io 0pf+0w
 I am curious, why don't you have the 1st line? Is *.output1 in place?
 Other than that: no idea. Sorry.

 This may be a new line printed by Wien2k 13.1.  So likely an older
 version is being used.

     On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam
     sikandar...@yahoo.com mailto:sikandar...@yahoo.com wrote:

         Hello all
         I am facing the problem in plotting the band structure,
         especially for big compounds like biological compounds.
         I get this problem
         Commandline: *x spaghetti -c*
         Program input is: **

           number of k-points read in case.vector=         251
         forrtl: severe (174): SIGSEGV, segmentation fault occurred
         0.279u 0.069s 0:00.51 64.7%    0+0k 0+0io 12pf+0w
         error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   
failed

         please some one help me.
         thanks in advance
         with regards
         sikander Azam



 This is similar to a previously reported error:

 http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

 To know if it solves the problem or not, the user would have to apply
 the fix to the old verison or use 13.1.  If it doesn't solve the
 problem, the user could do more debugging, the Intel article at the
 following link might help:

 http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors


 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html




 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:  
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


-- 

                                       P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
--
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html___
Wien mailing list
Wien

Re: [Wien] Regarding band structure

[Lyudmila Dobysheva]

11.09.2013 14:33, sikandar azam пишет:

I checked the the case.scfi and i have 28 eigen valves. And the number
of selected k-points 252. and dear sir Arshad i didn't run in the parallal.


Earlier there was Nk=251:

number of k-points read in case.vector=251
  forrtl: severe (174): SIGSEGV, segmentation fault occurred
  0.279u 0.069s 0:00.51 64.7%0+0k 0+0io 12pf+0w
  error: command  /home/azam/WIEN2k111-lopw/spaghetti
 spaghetti.def  failed

Maybe here is the problem?

Dear Sikander,

better send us more info: struct, klist (that was used for calculation), 
insp, and scf1 files, and lapw1.error if it is nonzero.


Best wishes
  Lyudmila Dobysheva
--
Phys.-Techn. Institute of Ural Br. of Russian Ac. of Sci.
426001 Izhevsk, ul.Kirova 132
RUSSIA
--
Tel.:7(3412) 442118 (home), 218988(office), 722529(Fax)
E-mail: l...@ftiudm.ru
lyuk...@mail.ru (office) lyuk...@gmail.com (home)
Skype:  lyuka17 (home), lyuka18 (office)
http://fti.udm.ru/content/view/25/103/lang,english/
--


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[Oleg Rubel]

Did you run x lapw1 -band before? If not, the reason can be a mismatch
between your k-list and the vector file.

I do not want to discourage you, but the band structure for large sells
(supercells) does not look very pretty. The density of states (especially
PDOS) can be more informative.

Oleg

On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.comwrote:

 Hello all
 I am facing the problem in plotting the band structure, especially for big
 compounds like biological compounds.
 I get this problem
 Commandline: *x spaghetti -c*
 Program input is: **

  number of k-points read in case.vector= 251
 forrtl: severe (174): SIGSEGV, segmentation fault occurred
 0.279u 0.069s 0:00.51 64.7%   0+0k 0+0io 12pf+0w
 error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed

 please some one help me.
 thanks in advance
 with regards
 sikander Azam

 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[sikandar azam]

Thanks sir Oleg Rubel, 
I alraedy run the command
 x lapw1 -band. 
And after that i edited the 
edit.case.insp
 and after that when i run the 
x spaghetti
 so i get this 
Commandline: x spaghetti -c
Program input is:  


number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed 



 From: Oleg Rubel oru...@lakeheadu.ca
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at 
Sent: Tuesday, September 10, 2013 5:28 PM
Subject: Re: [Wien] Regarding band structure
 


Did you run x lapw1 -band before? If not, the reason can be a mismatch 
between your k-list and the vector file.

I do not want to discourage you, but the band structure for large sells 
(supercells) does not look very pretty. The density of states (especially PDOS) 
can be more informative.

Oleg


On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.com wrote:

Hello all
I am facing the problem in plotting the band structure, especially for big 
compounds like biological compounds.
I get this problem
Commandline: x spaghetti -c
Program input is:  


number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed 
please some one help me.
thanks in advance
with regards
sikander Azam 
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[Oleg Rubel]

Your approach is correct. I do not see anything wrong. When I run x
spaghetti, this is what I see

SPAGH: Read band energy from case.output1
 number of k-points read in case.vector=  51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w

I am curious, why don't you have the 1st line? Is *.output1 in place? Other
than that: no idea. Sorry.

Oleg

On Tue, Sep 10, 2013 at 11:34 AM, sikandar azam sikandar...@yahoo.comwrote:

 Thanks sir Oleg Rubel,
 I alraedy run the command
  x lapw1 -band.
 And after that i edited the
 edit.case.insp
  and after that when i run the
 x spaghetti
  so i get this
 Commandline: *x spaghetti -c*
 Program input is: **

  number of k-points read in case.vector= 251
 forrtl: severe (174): SIGSEGV, segmentation fault occurred
 0.279u 0.069s 0:00.51 64.7%   0+0k 0+0io 12pf+0w
 error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed


   --
  *From:* Oleg Rubel oru...@lakeheadu.ca
 *To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
 *Sent:* Tuesday, September 10, 2013 5:28 PM
 *Subject:* Re: [Wien] Regarding band structure

 Did you run x lapw1 -band before? If not, the reason can be a mismatch
 between your k-list and the vector file.

 I do not want to discourage you, but the band structure for large sells
 (supercells) does not look very pretty. The density of states (especially
 PDOS) can be more informative.

 Oleg

 On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.comwrote:

 Hello all
 I am facing the problem in plotting the band structure, especially for big
 compounds like biological compounds.
 I get this problem
 Commandline: *x spaghetti -c*
 Program input is: **

  number of k-points read in case.vector= 251
 forrtl: severe (174): SIGSEGV, segmentation fault occurred
 0.279u 0.069s 0:00.51 64.7%   0+0k 0+0io 12pf+0w
 error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed

 please some one help me.
 thanks in advance
 with regards
 sikander Azam

 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[sikandar azam]

Thanks sir Oleg Rubel 
For your kind reply. Now i did like this, i removed these files '' case.irrep 
and case.qtl , may this crash spaghetti.
with regards
sikander



 From: Oleg Rubel oru...@lakeheadu.ca
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at 
Sent: Tuesday, September 10, 2013 6:03 PM
Subject: Re: [Wien] Regarding band structure
 


Your approach is correct. I do not see anything wrong. When I run x 
spaghetti, this is what I see
SPAGH: Read band energy from case.output1 number of k-points read in 
case.vector=  51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w
I am curious, why don't you have the 1st line? Is *.output1 in place? Other 
than that: no idea. Sorry.

Oleg


On Tue, Sep 10, 2013 at 11:34 AM, sikandar azam sikandar...@yahoo.com wrote:

Thanks sir Oleg Rubel, 
I alraedy run the command
 x lapw1 -band. 
And after that i edited the 
edit.case.insp
 and after that when i run the 
x spaghetti
 so i get this 
Commandline: x spaghetti -c
Program input is:  


number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed 




 From: Oleg Rubel oru...@lakeheadu.ca
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at 
Sent: Tuesday, September 10, 2013 5:28 PM
Subject: Re: [Wien] Regarding band structure
 


Did you run x lapw1 -band before? If not, the reason can be a mismatch 
between your k-list and the vector file.


I do not want to discourage you, but the band structure for large sells 
(supercells) does not look very pretty. The density of states (especially 
PDOS) can be more informative.


Oleg


On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.com wrote:

Hello all
I am facing the problem in plotting the band structure, especially for big 
compounds like biological compounds.
I get this problem
Commandline: x spaghetti -c
Program input is:  


number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed 
please some one help me.
thanks in advance
with regards
sikander Azam 
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[Gavin Abo]

Your approach is correct. I do not see anything wrong. When I run x 
spaghetti, this is what I see

SPAGH: Read band energy from case.output1
  number of k-points read in case.vector=  51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w
I am curious, why don't you have the 1st line? Is *.output1 in place? 
Other than that: no idea. Sorry.


This may be a new line printed by Wien2k 13.1.  So likely an older 
version is being used.



On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam
sikandar...@yahoo.com mailto:sikandar...@yahoo.com wrote:

Hello all
I am facing the problem in plotting the band structure,
especially for big compounds like biological compounds.
I get this problem
Commandline: *x spaghetti -c*
Program input is: **

  number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   
failed

please some one help me.
thanks in advance
with regards
sikander Azam




This is similar to a previously reported error:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

To know if it solves the problem or not, the user would have to apply 
the fix to the old verison or use 13.1.  If it doesn't solve the 
problem, the user could do more debugging, the Intel article at the 
following link might help:


http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors

___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[sikandar azam]

Dear sir Peter Blaha
Yes sir i change the x by the fermi energy.
with regards
sikander



 From: Peter Blaha pbl...@theochem.tuwien.ac.at
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at 
Sent: Tuesday, September 10, 2013 6:43 PM
Subject: Re: [Wien] Regarding band structure
 


 And after that i edited the
 edit.case.insp

What did you do at this step ?

Did your replace the xxx by your actual fermi energy ?


   and after that when i run the
 x spaghetti
   so i get this
 Commandline: *x spaghetti -c*
 Program input is: **

   number of k-points read in case.vector=         251
 forrtl: severe (174): SIGSEGV, segmentation fault occurred
 0.279u 0.069s 0:00.51 64.7%    0+0k 0+0io 12pf+0w
 error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed


 
 *From:* Oleg Rubel oru...@lakeheadu.ca
 *To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
 *Sent:* Tuesday, September 10, 2013 5:28 PM
 *Subject:* Re: [Wien] Regarding band structure

 Did you run x lapw1 -band before? If not, the reason can be a mismatch 
 between your k-list and the vector file.

 I do not want to discourage you, but the band structure for large sells 
 (supercells) does not look very pretty. The density of states (especially 
 PDOS) can be more informative.

 Oleg

 On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.com 
 mailto:sikandar...@yahoo.com wrote:

     Hello all
     I am facing the problem in plotting the band structure, especially for 
big compounds like biological compounds.
     I get this problem
     Commandline: *x spaghetti -c*
     Program input is: **

       number of k-points read in case.vector=         251
     forrtl: severe (174): SIGSEGV, segmentation fault occurred
     0.279u 0.069s 0:00.51 64.7%    0+0k 0+0io 12pf+0w
     error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   
failed

     please some one help me.
     thanks in advance
     with regards
     sikander Azam


     ___
     Wien mailing list
    Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
    http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
     SEARCH the MAILING-LIST at: 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at: 
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html




 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:  
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


-- 
-
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pbl...@theochem.tuwien.ac.at
-
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[foyevtsova]

Dear Sikander,

maybe this experience of mine can be helpful. I also once had similar
problems calculating the bandstructure of a big system (the size WAS the
problem since the code worked well for average size systems). It turned
out to be a compiler issue: the problem was gone when GotoBlas library was
used. That was version 07.2.

Good luck!
Kateryna

 Dear sir Peter Blaha
 Yes sir i change the x by the fermi energy.
 with regards
 sikander


 
  From: Peter Blaha pbl...@theochem.tuwien.ac.at
 To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
 Sent: Tuesday, September 10, 2013 6:43 PM
 Subject: Re: [Wien] Regarding band structure



 And after that i edited the
 edit.case.insp

 What did you do at this step ?

 Did your replace the xxx by your actual fermi energy ?


   and after that when i run the
 x spaghetti
   so i get this
 Commandline: *x spaghetti -c*
 Program input is: **

   number of k-points read in case.vector=         251
 forrtl: severe (174): SIGSEGV, segmentation fault occurred
 0.279u 0.069s 0:00.51 64.7%    0+0k 0+0io 12pf+0w
 error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def 
 failed


 
 *From:* Oleg Rubel oru...@lakeheadu.ca
 *To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
 *Sent:* Tuesday, September 10, 2013 5:28 PM
 *Subject:* Re: [Wien] Regarding band structure

 Did you run x lapw1 -band before? If not, the reason can be a mismatch
 between your k-list and the vector file.

 I do not want to discourage you, but the band structure for large sells
 (supercells) does not look very pretty. The density of states
 (especially PDOS) can be more informative.

 Oleg

 On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.com
 mailto:sikandar...@yahoo.com wrote:

     Hello all
     I am facing the problem in plotting the band structure, especially
 for big compounds like biological compounds.
     I get this problem
     Commandline: *x spaghetti -c*
     Program input is: **

       number of k-points read in case.vector=         251
     forrtl: severe (174): SIGSEGV, segmentation fault occurred
     0.279u 0.069s 0:00.51 64.7%    0+0k 0+0io 12pf+0w
     error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def 
 failed

     please some one help me.
     thanks in advance
     with regards
     sikander Azam


     ___
     Wien mailing list
    Wien@zeus.theochem.tuwien.ac.at
 mailto:Wien@zeus.theochem.tuwien.ac.at
    http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
     SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html




 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at: 
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html


 --
 -
 Peter Blaha
 Inst. Materials Chemistry, TU Vienna
 Getreidemarkt 9, A-1060 Vienna, Austria
 Tel: +43-1-5880115671
 Fax: +43-1-5880115698
 email: pbl...@theochem.tuwien.ac.at
 -
 ___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at: 
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html___
 Wien mailing list
 Wien@zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
 SEARCH the MAILING-LIST at:
 http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[Peter Blaha]

And after that i edited the
edit.case.insp


What did you do at this step ?

Did your replace the xxx by your actual fermi energy ?



  and after that when i run the
x spaghetti
  so i get this
Commandline: *x spaghetti -c*
Program input is: **

  number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed



*From:* Oleg Rubel oru...@lakeheadu.ca
*To:* A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at
*Sent:* Tuesday, September 10, 2013 5:28 PM
*Subject:* Re: [Wien] Regarding band structure

Did you run x lapw1 -band before? If not, the reason can be a mismatch 
between your k-list and the vector file.

I do not want to discourage you, but the band structure for large sells 
(supercells) does not look very pretty. The density of states (especially PDOS) 
can be more informative.

Oleg

On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.com 
mailto:sikandar...@yahoo.com wrote:

Hello all
I am facing the problem in plotting the band structure, especially for big 
compounds like biological compounds.
I get this problem
Commandline: *x spaghetti -c*
Program input is: **

  number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed

please some one help me.
thanks in advance
with regards
sikander Azam


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at: 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at: 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html




___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html



--
-
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pbl...@theochem.tuwien.ac.at
-
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Regarding band structure

[Yasir Ali]

I do not know the reason but it may work.
Instead of giving command x spaghetti -c give onlyx spaghetti.I assume this 
will work as it have worked for me many times.


 





Regards: 
Yasir Ali
Scientific  Officer
NINVAST
NCP Complex
 Quaid Azam University 
Islamabad Pakistan




 From: Gavin Abo gs...@crimson.ua.edu
To: A Mailing list for WIEN2k users wien@zeus.theochem.tuwien.ac.at 
Sent: Tuesday, September 10, 2013 10:03 PM
Subject: Re: [Wien] Regarding band structure
 




Your approach is correct. I do not see anything wrong. When I run x 
spaghetti, this is what I see 
SPAGH: Read band energy from case.output1 number of k-points read in 
case.vector=  51
SPAGH END
0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w
I am curious, why don't you have the 1st line? Is *.output1 in place? Other 
than that: no idea. Sorry.

This may be a new line printed by Wien2k 13.1.  So likely an older version is 
being used.


On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam sikandar...@yahoo.com wrote:

Hello all
I am facing the problem in plotting the band structure, especially for big 
compounds like biological compounds.
I get this problem
Commandline: x spaghetti -c
Program input is:  


number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command   /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def   failed 
please some one help me.
thanks in advance
with regards
sikander Azam 

This is similar to a previously reported error:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html

To know if it solves the problem or not, the user would have to
  apply the fix to the old verison or use 13.1.  If it doesn't solve
  the problem, the user could do more debugging, the Intel article
  at the following link might help:

http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors


___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html