<div dir="ltr"><font size="2"><font face="tahoma,sans-serif">Hi,<br><br>I found a solution to this problem by using -g option for lstart as below:<br><br><b>-g -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML</b><br><br>
and everything is OK in initialzing but now I have another problem in LAPW1:<br><br></font></font><pre><b>error: command /opt/WIEN2k/lapw1 lapw1.def failed</b><br><br></pre>Does anyone have a solution for this?<br><font size="2"><font face="tahoma,sans-serif"><br>
</font></font><br><div class="gmail_quote">On Thu, Dec 2, 2010 at 9:31 PM, Hamid Abbaszadeh <span dir="ltr"><<a href="mailto:abbaszadeh.h@gmail.com">abbaszadeh.h@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div dir="ltr"><font size="2"><font face="tahoma,sans-serif">Hi,<br><br>And, I complied with -traceback option. OPTIONS file of WIEN2k complie is<br><br>current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback<br>
current:FPOPT:$(FOPT)<br>current:LDFLAGS:$(FOPT) -L/opt/intel/lib/intel64 -pthread -i-static<br>current:DPARALLEL:'-DParallel'<br>current:R_LIBS:-L/opt/intel/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core -Wl,--end-group -openmp -lpthread<br>
current:RP_LIBS:-lmkl_scalapack -lmkl_blacs_lp64 -L/opt/local/fftw/lib/ -lfftw_mpi -lfftw $(R_LIBS)<br>current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_<br><br>Adding -traceback didn't return any useful information.<br>
</font></font><div><div></div><div class="h5"><br><div class="gmail_quote">On Thu, Dec 2, 2010 at 9:16 PM, Maxim Rakitin <span dir="ltr"><<a href="mailto:rms85@physics.susu.ac.ru" target="_blank">rms85@physics.susu.ac.ru</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Dear Laurence and Hamid,<br>
<br>
I also had such type of problem a week ago. I have these messages on lstart phase of initialization:<br>
echo -e "13\n-7.0" | x lstart<div><br>
SELECT XCPOT:<br>
recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)<br>
5: LSDA<br>
11: WC-GGA (Wu-Cohen 2006)<br>
19: PBEsol-GGA (Perdew etal. 2008)<br>
SELECT ENERGY to separate core and valence states:<br>
recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)<br>
ALTERNATIVELY: specify charge localization<br>
(between 0.97 and 1.0) to select core state<br></div>
forrtl: severe (193): Run-Time Check Failure. The variable 'insld_$DVC' is being used without being defined<div><br>
Image PC Routine Line Source<br></div>
lstart 00000000004C787A Unknown Unknown Unknown<br>
lstart 00000000004C63F5 Unknown Unknown Unknown<br>
lstart 000000000047E006 Unknown Unknown Unknown<br>
lstart 000000000044BDF5 Unknown Unknown Unknown<br>
lstart 000000000044C8A8 Unknown Unknown Unknown<br>
lstart 000000000040CC6A insld_ 57 insld.f<br>
lstart 0000000000422C56 MAIN__ 136 lstart.f<br>
lstart 000000000040341C Unknown Unknown Unknown<br>
libc.so.6 00002B34DAEF9B7D Unknown Unknown Unknown<br>
lstart 0000000000403319 Unknown Unknown Unknown<br>
0.000u 0.000s 0:00.00 0.0% 0+0k 0+56io 0pf+0w<br>
error: command /usr/local/wien2k/lstart lstart.def failed<br>
<br>
In my case I compiled lstart using Intel Composer software (ifort 12.0) with the following options:<br>
-FR -mp1 -w -prec_div -pc80 -pad -align -ip -DINTEL_VML -O3 -xHost -C -g -traceback<br>
<br>
The -traceback option doesn't return all necessary info, so -C and -g options give more details. I haven't found the reason of the error and decided to use ifort 11 instead. In this case there are no error messages.<br>
<br>
Best regards,<br>
Maxim Rakitin<br>
South Ural State University<br>
Chelyabinsk, Russia<br>
email: <a href="mailto:rms85@physics.susu.ac.ru" target="_blank">rms85@physics.susu.ac.ru</a><br>
web: <a href="http://www.susu.ac.ru" target="_blank">http://www.susu.ac.ru</a><br>
<br>
<br>
02.12.2010 21:57, Laurence Marks пишет:<div><div></div><div><br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Add -traceback to the compile options (edit the Makefile for lstart),<br>
recompile, rerun and give the line number where there is a crash.<br>
<br>
2010/12/2 Hamid Abbaszadeh<<a href="mailto:abbaszadeh.h@gmail.com" target="_blank">abbaszadeh.h@gmail.com</a>>:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hi,<br>
<br>
I complied WIEN2k10.1 in (new) Redhat EL6 with ifor 12.0 + mkl 10.3 without<br>
any error or warring.<br>
<br>
But in TiC case, lstart return this<br>
<br>
Commandline: x lstart -up<br>
Program input is: "13 -6.0 "<br>
<br>
SELECT XCPOT:<br>
recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96)<br>
5: LSDA<br>
11: WC-GGA (Wu-Cohen 2006)<br>
19: PBEsol-GGA (Perdew etal. 2008)<br>
SELECT ENERGY to separate core and valence states:<br>
recommended: -6.0 Ry (check how much core charge leaks out of MT-sphere)<br>
ALTERNATIVELY: specify charge localization<br>
(between 0.97 and 1.0) to select core state<br>
forrtl: severe (71): integer divide by zero<br>
Image PC Routine Line Source<br>
lstart 00000000004A9608 Unknown Unknown Unknown<br>
<br>
Stack trace terminated abnormally.<br>
0.000u 0.002s 0:00.00 0.0% 0+0k 0+72io 0pf+0w<br>
error: command /opt/WIEN2k/lstart uplstart.def failed<br>
<br>
What is wrong?<br>
<br>
<br>
<br>
On Fri, Nov 19, 2010 at 5:24 PM, César de la Fuente<<a href="mailto:cesar@unizar.es" target="_blank">cesar@unizar.es</a>> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
It works. Thanks you.!<br>
<br>
-----Mensaje original-----<br>
De: <a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a><br>
[mailto:<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>] En nombre de Peter Blaha<br>
Enviado el: viernes, 19 de noviembre de 2010 14:46<br>
Para: A Mailing list for WIEN2k users<br>
Asunto: Re: [Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?<br>
<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
But, how you could fix the compilation error #5012 Cannot open include<br>
</blockquote>
file<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
'<a href="http://mkl_vml.fi" target="_blank">mkl_vml.fi</a>' for the programs: lapw0, lapw1 and lapw2?<br>
</blockquote>
You have to setup your environment properly by sourcing two setup files<br>
for<br>
compiler<br>
and mkl.<br>
I guess, siteconfig even recommends this to you, otherwise search the old<br>
mailinglist.<br>
<br>
<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
I've also found an additional compilation error probably because some<br>
kind<br>
of incompatibility between wien2k-10.1 and the new intel software:<br>
<br>
/opt/intel/composerxe-2011.0.084/bin/ia32/icc -c W2kutils.c<br>
W2kutils.c(131): warning #167: argument of type "void (*)()" is<br>
</blockquote>
incompatible<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
with parameter of type "__sighandler_t"<br>
signal ( SIGINT, w2ksignal_int ); /* Interrupt */<br>
</blockquote>
Also this was discussed in the mailing list before, but probably is only a<br>
warning.<br>
<br>
<br>
--<br>
<br>
P.Blaha<br>
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</div></div></blockquote></div><br><br clear="all"><br></div></div>-- <br><div class="im"><div dir="ltr"><b><i>Hamid Abbaszadeh</i></b><br>website: <a href="http://www.respinar.com" target="_blank">www.respinar.com</a><br>
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</blockquote></div><br><br clear="all"><br>-- <br><div dir="ltr"><b><i>Hamid Abbaszadeh</i></b><br>website: <a href="http://www.respinar.com" target="_blank">www.respinar.com</a><br>email: <a href="mailto:info@respinar.com" target="_blank">info@respinar.com</a><br>
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