[Wien] Segmentation faults in lapw1

[Peter Blaha]

Make sure that you have set unlimited stackspace.
Make sure that you have set OMP_NUM_THREAD to one.

Otherwise it might be some incompatibility with the GOTO-library ?
Try using a different library.
PS: I strongly recommend ifort10 and mkl-library.

Jean-Claude Le Bossé schrieb:
> Dear Wien2k users,
> 
> I have installed the Wien2k_08 version on a DELL computer, Optilex 745,
> with an INTEL CoreTM 2 duo, 1066MHz FSB.
> The operating system I use is Linux Fedora 8 (Redhat 6-0-19).
> I use the GNU Fortran 95 compiler (gfortran)
> 
> I have tried different kinds of installation
> 
> 1) V linux (gfortran compiler+gotolib)
> and I first install the GotoBLAS library in \opt
> I specify the following compiler options
> 
> O   Compiler options:-ffree-form -O2
> L   Linker Flags: \$(FOPT) -L\$(WIENROOT)/SRC_lib -L/usr/lib
> -L/opt/GotoBLAS -L\$(WIENROOT)/SRC_lib  -pthread -static
> P   Preprocessor flags       '-DParallel'
> R   R_LIB (LAPACK+BLAS): -llapack_lapw -lpthread -lgoto -llapack_lapw
> 
> 
> 2) G Generic installation with the default options.
> 
> Both installations lead to a Segmentation Fault when lapw1 is run. More
> precisely, I get :
> 
> Calculating TiC in /home/jclebosse/lapw/TiC
> on localhost.localdomain with PID 7128
> 
>  start 	(mar jui  1 10:14:07 CEST 2008) with lapw0 (40/99 to go)
> 
>  cycle 1 	(mar jui  1 10:14:07 CEST 2008) 	(40/99 to go)
> 
>> ;   lapw0 	(10:14:07) 3.574u 0.028s 0:03.62 99.1%	0+0k 0+392io 0pf+0w
> 
>> ;   lapw1   	(10:14:11) Incident de segmentation
> 0.000u 0.000s 0:00.00 0.0%    0+0k 0+0io 0pf+0w
> 
> error: command   /home/jclebosse/WienRoot/lapw1 lapw1.def   failed
> 
>> ;   stop error
> 
> 
> 
> Thank you for your help.
> 
> JCLB
> 
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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