Dear Dr. Gerhard Fecher, Dr. Ramkumar Thapa and wien2k users,<div><br></div><div> 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 (<span class="Apple-style-span" style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; ">composerxe-2011.4.191) </span>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</div>
<div><br></div><div><b>(1) <span class="Apple-style-span" style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; ">LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread</span></b></div>
<div><b><span class="Apple-style-span" style="border-collapse: collapse; font-family: arial, sans-serif; font-size: 13px; "><br></span></b></div><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"><b>(2) <span class="Apple-style-span" style="font-size: 13px; ">R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread</span></b></span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"><b><br></b></span></font></div><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">We are still getting the errors and not able to figure it out. Any response in this regard will be appreciated. Thanking you,</span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"><br></span></font></div><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">with best regards,</span></font></div>
<div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;"><br></span></font></div><div><font class="Apple-style-span" face="arial, sans-serif"><span class="Apple-style-span" style="border-collapse: collapse;">Shamik Chakrabarti <br>
</span></font><br><div class="gmail_quote">2011/5/31 Ramkumar Thapa <span dir="ltr"><<a href="mailto:r.k.thapa@gmail.com">r.k.thapa@gmail.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div>Dear Dr. Gerhard,</div><div>You are right but then usually compilers like ifc and mkl's are installed under root only.</div><div>R.K.Thapa</div><div>===========<br><br></div><div><div></div><div class="h5"><div class="gmail_quote">
On Tue, May 31, 2011 at 1:00 PM, Gerhard Fecher <span dir="ltr"><<a href="mailto:fecher@uni-mainz.de" target="_blank">fecher@uni-mainz.de</a>></span> wrote:<br>
<blockquote style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204, 204, 204);border-left-width:1px;border-left-style:solid" class="gmail_quote">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>
<div><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" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a> [<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>]&quot; im Auftrag von &quot;Ramkumar Thapa [<a href="mailto:r.k.thapa@gmail.com" target="_blank">r.k.thapa@gmail.com</a>]<br>
Gesendet: Dienstag, 31. Mai 2011 09:24<br>
<div>Bis: A Mailing list for WIEN2k users<br>
</div>Betreff: Re: [Wien] error during compilation (siteconfig_lapw)<br>
<div><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" target="_blank">shamikphy@gmail.com</a><mailto:<a href="mailto:shamikphy@gmail.com" target="_blank">shamikphy@gmail.com</a>>><br>
<div><div></div><div><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></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>