[Wien] WIEN2k_10.1 compilation problem (undefined reference to `__dlsym')

[Peter Blaha]

 > To fix it I sourced mklvarsem64t.sh, so the $INCLUDE variable became

Did you also "source" the corresponding file for the ifort compiler ?

Am 22.10.2010 11:39, schrieb Maxim Rakitin:
> Dear WIEN2k experts,
>
> I tried to compile WIEN2k_10.1 on the cluster of my university (SuSE
> linux, Xeon 53XX processors), but I got an error during the process:
>
>     usr/lib64/gcc/x86_64-suse-linux/4.1.2/../../../../lib64/libdl.a(dlsym.o):
>     In function `dlsym':
>     (.text+0x5): undefined reference to `__dlsym'
>
> Here is a part of the compilation log of lapw0 (serial version):
>
>     icc -c W2kutils.c
>     ifort -FR -w -mp1 -prec-div -pad -ip -DINTEL_VML -O3 -xP -c W2kinit.F
>     ifort -o lapw0 cputim.o modules.o reallocate.o ainv.o am05_xscss.o
>     b88.o blyp.o brj.o charg2.o  charg3.o charge.o chfac.o chslv.o
>     corgga.o corpbe_revtpss.o corpbe_tpss.o cub_xc_back.o corlsd.o
>     dfxhpbe.o dfxrevtpss.o dfxtpss.o drho.o dylm.o efg.o energy.o
>     epot1.o eramps.o errclr.o errflg.o ev92.o ev92ex.o exch.o exch17.o
>     fftw_para.o fithi.o fxhpbe.o fx_revtpss.o fx_tpss.o gbass.o gcor.o
>     gea.o geaex.o  getff1.o getfft.o gpoint.o gpointm.o grans.o gtfnam.o
>     hcth.o ifflim.o kcis.o lapw0.o latgen.o multfc.o multsu.o outerr.o
>     pbea.o pbem.o pbe1.o pbe2.o pbesol.o poissn.o potfac.o pwxad4.o
>     pwxad5.o qranf.o readstruct.o rean0.o rean1.o rean3.o rean4.o
>     rhopw.o rotate.o rotdef.o rpbe.o setff0.o setff1.o setfft.o setff2.o
>     seval.o sevald.o sevaldd.o sevali.o sevalin.o sicpbe.o
>     sicpbe_revtpss.o sicpbe_tpss.o sogga.o sphbes.o spline.o srolyl.o
>     stern.o sumfac.o suml.o th1.o th2.o vpw91.o vresp.o vs98.o vxc15.o
>     vxc16.o vxc17.o vxc24.o vxc26.o vxclm2.o vxcpw2.o vxi35.o vxi35a.o
>     wc05.o workf1.o xcener.o xcpot.o xcpot1.o xcpot3.o ykav.o  ylm.o
>     zfft3d.o  W2kutils.o W2kinit.o -FR -w -mp1 -prec-div -pad -ip
>     -DINTEL_VML -O3 -xP -L/opt/intel/mkl/10.0.3.020/lib/em64t -lguide
>     -lpthread -L/opt/intel/mkl/10.0.3.020/lib/em64t -lmkl_em64t
>     -lmkl_core -lmkl_sequential -liomp5 -lmkl_lapack -lguide -lpthread
>
> It seems to me that the problem is connected with new routines W2k*,
> because when I compile the package without $INCLUDE wariable, I got the
> following error:
>
>     fortcom: Error: W2kinit.F, line 28: Cannot open include file
>     'mkl_vml.fi'
>             include 'mkl_vml.fi'
>     ---------------^
>
> To fix it I sourced mklvarsem64t.sh, so the $INCLUDE variable became
> available. But this produced the error in the beginning of this mail. I
> tried different combinations of input parameters (FOPT, FPOPT, etc), but
> this didn't help. FYI, in the previous versions of WIEN2k I haven't met
> such kind of problems.
>
> Could anyboby please help me to find where the problem came from? I
> really appreciate any help and advice. If you need additional
> information on my compilation options or cluster details, please let me
> know.
>
> Thanks a lot.
>
> --
> Best regards,
>     Maxim Rakitin
>     Postgraduate student
>     South Ural State University,
>     76 Lenin av., Chelyabinsk, Russia, 454080
>     Email:rms85 at physics.susu.ac.ru
>     Web:http://www.susu.ac.ru
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671