<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 class="gmail_quote">On Tue, May 31, 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 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 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;Ramkumar Thapa [<a href="mailto:r.k.thapa@gmail.com">r.k.thapa@gmail.com</a>]<br>
Gesendet: Dienstag, 31. Mai 2011 09:24<br>
<div class="im">Bis: A Mailing list for WIEN2k users<br>
</div>Betreff: Re: [Wien] error during compilation (siteconfig_lapw)<br>
<div class="im"><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>>><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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