Dear Dr. Gerhard Fecher Sir,<div> </div><div> Thank you for your reply. I will follow your suggestion and use same version of IFORT and MKL.</div><div><br></div><div>with best regards,</div>
<div>Shamik Chakrabarti<br><br><div class="gmail_quote">On Wed, Jun 1, 2011 at 1:00 PM, Gerhard Fecher <span dir="ltr"><<a href="mailto:fecher@uni-mainz.de">fecher@uni-mainz.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
I guess you mix arbitrarily options from different Versions,<br>
why don't you use the suggestions of Intel<br>
<div class="im"><a href="http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/" target="_blank">http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/</a><br>
</div>it is hard to estimate which options you need, without knowing for example what memory model,<br>
you like to use<br>
<br>
The composer should come with IFORT and MKL, so I do not see any reason why you use an old<br>
outdated fc 10.1 version.<br>
<br>
if you use a 32 bit system (why to use the 32 bit version on a modern core duo processor at all ?)<br>
then I am sure that the next error message that you have will be a segmentation fault<br>
(search this forum and you will find the questions and answers very often)<br>
<div class="im"><br>
Ciao<br>
Gerhard<br>
<br>
====================================<br>
Dr. Gerhard H. Fecher<br>
Institut of Inorganic and Analytical Chemistry<br>
Johannes Gutenberg - University<br>
55099 Mainz<br>
________________________________________<br>
</div>Von: <a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a> [<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a>]&quot; im Auftrag von &quot;shamik chakrabarti [<a href="mailto:shamikphy@gmail.com">shamikphy@gmail.com</a>]<br>
Gesendet: Dienstag, 31. Mai 2011 18:26<br>
<div class="im">Bis: A Mailing list for WIEN2k users<br>
Betreff: Re: [Wien] error during compilation (siteconfig_lapw)<br>
<br>
</div><div class="im">Dear Dr. Gerhard Fecher, Dr. Ramkumar Thapa and wien2k users,<br>
<br>
We have tried to install the compilers come in same package in the laptop but always get failed to install mkl. Then we have downloaded the above mentioned version of mkl (composerxe-2011.4.191) and able to install it in this system. We have previously installed fc and mkl under home directory in other systems and we have found no problems there. It is in this laptop only we are facing problem. Sir is anything wrong in the given compiler options?..... we can guess the problem is coming from the two links below<br>
<br>
(1) LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread<br>
<br>
(2) R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread<br>
<br>
We are still getting the errors and not able to figure it out. Any response in this regard will be appreciated. Thanking you,<br>
<br>
with best regards,<br>
<br>
Shamik Chakrabarti<br>
<br>
</div>2011/5/31 Ramkumar Thapa <<a href="mailto:r.k.thapa@gmail.com">r.k.thapa@gmail.com</a><mailto:<a href="mailto:r.k.thapa@gmail.com">r.k.thapa@gmail.com</a>>><br>
<div class="im">Dear Dr. Gerhard,<br>
You are right but then usually compilers like ifc and mkl's are installed under root only.<br>
R.K.Thapa<br>
===========<br>
<br>
</div><div class="im">On Tue, May 31, 2011 at 1:00 PM, Gerhard Fecher <<a href="mailto:fecher@uni-mainz.de">fecher@uni-mainz.de</a><mailto:<a href="mailto:fecher@uni-mainz.de">fecher@uni-mainz.de</a>>> wrote:<br>
Thats a matter of taste,<br>
there is no need that the compiler is in a special directory,<br>
you just have to ensure that your environment variables are set correctly.<br>
<br>
Ciao<br>
Gerhard<br>
<br>
====================================<br>
Dr. Gerhard H. Fecher<br>
Institut of Inorganic and Analytical Chemistry<br>
Johannes Gutenberg - University<br>
55099 Mainz<br>
________________________________________<br>
</div>Von: <a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a><mailto:<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a>> [<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a><mailto:<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a>>]&quot; im Auftrag von &quot;Ramkumar Thapa [<a href="mailto:r.k.thapa@gmail.com">r.k.thapa@gmail.com</a><mailto:<a href="mailto:r.k.thapa@gmail.com">r.k.thapa@gmail.com</a>>]<br>
<div class="im">Gesendet: Dienstag, 31. Mai 2011 09:24<br>
Bis: A Mailing list for WIEN2k users<br>
Betreff: Re: [Wien] error during compilation (siteconfig_lapw)<br>
<br>
Dear Shamik,<br>
Your options :<br>
current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread<br>
current:DPARALLEL:'-DParallel'<br>
current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread<br>
------ in red should be under root NOT in /home/avijitghosh.<br>
While installing your compiler and mkl files, you must have been under root.<br>
Best wishes,<br>
R.K.Thapa<br>
Mizoram University<br>
====================<br>
</div>2011/5/31 shamik chakrabarti <<a href="mailto:shamikphy@gmail.com">shamikphy@gmail.com</a><mailto:<a href="mailto:shamikphy@gmail.com">shamikphy@gmail.com</a>><mailto:<a href="mailto:shamikphy@gmail.com">shamikphy@gmail.com</a><mailto:<a href="mailto:shamikphy@gmail.com">shamikphy@gmail.com</a>>>><br>
<div><div></div><div class="h5"><br>
Dear Dr. Peter Blaha Sir and Wien2k users,<br>
<br>
We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error :<br>
Compile time errors (if any) were:<br>
SRC_aim/compile.msg:make[1]: *** [aim] Error 1<br>
SRC_aim/compile.msg:make: *** [real] Error 2<br>
SRC_aim/compile.msg:make[1]: *** [aimc] Error 1<br>
SRC_aim/compile.msg:make: *** [complex] Error 2<br>
SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1<br>
SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1<br>
SRC_lapw1/compile.msg:make: *** [real] Error 2<br>
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1<br>
SRC_lapw1/compile.msg:make: *** [complex] Error 2<br>
SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1<br>
SRC_lapw2/compile.msg:make: *** [real] Error 2<br>
SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1<br>
SRC_lapw2/compile.msg:make: *** [complex] Error 2<br>
SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1<br>
SRC_lapwdm/compile.msg:make: *** [real] Error 2<br>
SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1<br>
SRC_lapwdm/compile.msg:make: *** [complex] Error 2<br>
SRC_lapwso/compile.msg:make: *** [lapwso] Error 1<br>
SRC_mini/compile.msg:make: *** [mini] Error 1<br>
SRC_pairhess/compile.msg:make: *** [pairhess] Error 1<br>
SRC_qtl/compile.msg:make: *** [qtl] Error 1<br>
SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1<br>
SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1<br>
SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1<br>
<br>
We check accordingly compile.msg files and are giving relevant area for your consideration:<br>
<br>
CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED.<br>
CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED.<br>
CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch.<br>
ifort -o ./aim moduls.o charge.o gbass.o gener.o aim.o main1.o outin.o radial.o reduc.o rsur.o rotat.o rotate.o rotato.o rotdef1.o sternb.o sum.o vnorm.o ylm.o dtylm.o sumd.o grhosphe.o dradial.o gen_change.o rotat_back.o rotate_back.o gen_brav.o interst.o sphere.o init.o onestep.o rsurf.o gauleg.o critic.o surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o -L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread -L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread<br>
follown.o: In function `maxeigen_.J':<br>
follown.f:(.text+0xcf): undefined reference to `dsyev_'<br>
follown.o: In function `maxeigen_.A':<br>
follown.f:(.text+0x1e3): undefined reference to `dsyev_'<br>
follown.o: In function `stepper_.J':<br>
follown.f:(.text+0x320): undefined reference to `dsyev_'<br>
follown.o: In function `stepper_.A':<br>
follown.f:(.text+0x61f): undefined reference to `dsyev_'<br>
follown.o: In function `follown_.J':<br>
follown.f:(.text+0xe35): undefined reference to `dsyev_'<br>
follown.o:follown.f:(.text+0x1adb): more undefined references to `dsyev_' follow<br>
make[1]: *** [aim] Error 1<br>
make[1]: Leaving directory `/home/avijitghosh/Desktop/Wien2K_30-12-08/WIEN2k/SRC_aim'<br>
make: *** [real] Error 2<br>
if [ -f .real ]; then \<br>
make clean; \<br>
<br>
Below we are giving the compiler options:<br>
<br>
current:FOPT:-FR -mp1 -w -prec_div -pad -ip -O3 -axTW -traceback<br>
current:FPOPT:$(FOPT)<br>
current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread<br>
current:DPARALLEL:'-DParallel'<br>
current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread<br>
current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t<br>
<br>
any response in this regard will be very helpful for us. Thanks in advance.<br>
<br>
with best regards,<br>
<br>
<br>
--<br>
Shamik Chakrabarti<br>
Research Scholar<br>
Dept. of Physics & Meteorology<br>
Material Processing & Solid State Ionics Lab<br>
IIT Kharagpur<br>
Kharagpur 721302<br>
INDIA<br>
<br>
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<br>
<br>
<br>
<br>
--<br>
Shamik Chakrabarti<br>
Research Scholar<br>
Dept. of Physics & Meteorology<br>
Material Processing & Solid State Ionics Lab<br>
IIT Kharagpur<br>
Kharagpur 721302<br>
INDIA<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Shamik Chakrabarti<br>Research Scholar<br>Dept. of Physics & Meteorology<br>Material Processing & Solid State Ionics Lab<br>IIT Kharagpur<br>Kharagpur 721302<br>
INDIA<br>
</div>