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<DIV>Hi Maurizio,</DIV>
<DIV>In bash.rc (or equivalent) insert: ulimit -s unlimited.</DIV>
<DIV>In lapw0para and x_lapw insert: limit stacksize unlimited.</DIV>
<DIV>For R_LIB options you need to give the full path of the mkl compiler
library. In the L option full path of fortran lib is needed. </DIV>
<DIV>In LD_LIBRARY_PATH did you add path for the fortran library?</DIV>
<DIV>Best wishes,</DIV>
<DIV>Chandrika</DIV>
<BLOCKQUOTE
style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">
<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=biasini@physics.ucr.edu
href="mailto:biasini@physics.ucr.edu">Maurizio Biasini</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A
title=wien@zeus.theochem.tuwien.ac.at
href="mailto:wien@zeus.theochem.tuwien.ac.at">A Mailing list for WIEN2k
users</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Wednesday, August 15, 2007 12:38
AM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Wien] segmentation fault</DIV>
<DIV><BR></DIV><BR>Subject: Segmentation fault with ifort
compiler<BR><BR><BR>Dear WIEN2k users<BR>I downloaded
the<BR> wien2k_07.2 on a new linux system<BR>linux
version<BR>2.6.18.2-34-default <BR><BR>The fortran compiler selected in
./siteconfig was <BR> J Linux
(Intel ifort 8 or 9 compiler + mkl 8.0 )<BR><BR>However the version I
downloaded was a more recent one<BR>compiler 10.0.023<BR>the pertaining
lapack library is 9.1.021<BR>/opt/intel/mkl/9.1.021/lib
<DIV id=mb_0><WBR>_serial/em64t/libmkl_lapack.a<BR><BR>The compiler
options in ./siteconfig were <BR> Current
settings:<BR> O Compiler
options: -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML<BR> L Linker
Flags:
$(FOPT) -L/opt/intel/mkl/9.1.021/lib<WBR>/em64t
-lpthread<BR> P Preprocessor
flags '-DParallel'
<BR> R R_LIB
(LAPACK+BLAS): -lmkl_lapack -lmkl_em64t -lvml
-pthread<BR><BR>I followed the message from ./siteconfig <BR>"Please note: The
present ifort 8 or 9 versions cannot produce static executables<BR>therefore
dynamic linking is done. You must have a proper LD_LIBRARY_PATH <BR>on all
your machines"<BR>I.e. I set <BR>export
LD_LIBRARY_PATH=/opt/intel/mkl<WBR>/9.1.021/lib/em64t<BR><BR>After these steps
the compilation did succeed.<BR>For example, these are first lines of the
Makefile of lapw2 <BR>.SUFFIXES:
.F<BR>.SUFFIXES: .F90<BR>SHELL = /bin/sh<BR>FC =
ifort<BR>MPF = ifort<BR>CC = cc<BR>FOPT = -FR -mp1 -w -prec_div -pc80
-pad -ip -DINTEL_VML<BR>FPOPT = -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML <BR>DParallel = '-DParallel'<BR>FGEN = $(PARALLEL)<BR>LDFLAGS =
$(FOPT) -L/opt/intel/mkl/9.1.021/lib<WBR>/em64t -lpthread<BR>R_LIBS =
-lmkl_lapack -lmkl_em64t -lvml -pthread<BR>C_LIBS = $(R_LIBS)<BR>RP_LIBS =
$(R_LIBS) -L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas -lredist
-ltools -lscalapack -lfblacs -lblacs -lmpi <BR>CP_LIBS = $(RP_LIBS)<BR>DESTDIR
= .<BR><BR><BR>I am running an antiferromagnetic case; I could
provide further information if needed<BR>System URu2Si2<BR>I first run a
spin polarized case (without the clmcopy option) WITHOUT SPIN ORBIT <BR>It was
successuful. I got convergence and total moment consistent with AF
<BR>spin moment: U1 1.4 mu_B and in U2 = -1.4
mu_B<BR>However when I tried to add spin orbit I got a message
<BR>"segmentation fault" in lapw2 <BR>I add that I tried on another
computer the same case , with the same input files , with s.o. without ever
getting any "segmentation fault" message.<BR><BR>this is the *.dayfile
output<BR>> lapw0
(11:35:06) 5.780u 0.140s 0:06.02 98.3% 0+0k 0+0io
0pf+0w<BR>> lapw1
-up (11:35:12) 1.440u
0.136s 0:01.81 86.7% 0+0k 0+0io 0pf+0w<BR>> lapw1
-dn (11:35:14) 1.444u
0.104s 0:01.54 100.0% 0+0k 0+0io 0pf+0w <BR>> lapwso
-up (11:35:15) 1.432u
0.076s 0:01.83 81.9% 0+0k 0+0io 31pf+0w<BR>> lapw2 -c -up
-so (11:35:17) Segmentation fault<BR><BR>I obviously
suspect that the reason is the compiler. Any help from people who used this
compiler are strongly appreciated. <BR>Thank you for help<BR>please reply at
<BR><A onclick="return top.js.OpenExtLink(window,event,this)"
href="mailto:biasini@physics.ucr.edu"
target=_blank>biasini@physics.ucr.edu</A><BR><BR>I include case.struct,
case.in1 , case.in2, case.inso in a zip files<BR>best wishes<BR><BR>Maurizio
Biasini<BR>H 522 Athens str 92507 Riverside CA<BR>tel +1 951
7877826<BR>University of California at Riverside
<BR>Riverside 92521 CA (USA)<BR>tel +1 951 827 2919<BR>FAX +1 951
827 4529<BR><BR>e-mail <A
onclick="return top.js.OpenExtLink(window,event,this)"
href="mailto:biasini@physics.ucr.edu"
target=_blank>biasini@physics.ucr.edu</A></DIV><PRE class=moz-signature cols="72">--
Maurizio Biasini, PhD
University of California at Riverside
3401 Watkins Drive
Physics Department
Riverside 92521 CA (USA)
tel +1 951 827 2919
FAX +1 951 827 4529
E-MAil <A class=moz-txt-link-abbreviated href="mailto:biasini@physics.ucr.edu">biasini@physics.ucr.edu</A>
Permanent address
ENEA via Don Fiammelli 2
40129 Bologna Italy tel +39 051 6098155 FAX +39 051 6098062
e-mail <A class=moz-txt-link-abbreviated href="mailto:biasini@risc990.bologna.enea.it">biasini@risc990.bologna.enea.it</A>
Home page <A class=moz-txt-link-freetext href="http://diaf3.bologna.enea.it/biasini/home.html">http://diaf3.bologna.enea.it/biasini/home.html</A>
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