[Wien] WIEN2k_09.1 new version

Ricardo Faccio rfaccio at fq.edu.uy
Thu Feb 5 19:21:31 CET 2009


Dear WIEN2k users,
    I downloaded the latest version and I started the regular compilation 
procedure as usual.
In this opportunity the compilation fails in the LAPW0 routine, maybe due to 
cputim.o which is missing:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
ifort -o lapw0 cputim.o modules.o reallocate.o ainv.o am05v2.o b88.o blyp.o 
brj.o charg2.o  charg3.o charge.o chfac.o chslv.o corgga.o corpbe_tpss.o 
cub_xc_back.o corlsd.o dfxhpbe.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 
exrevpbe.o fftw_para.o fithi.o fxhpbe.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 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_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  -L/opt/intel/mkl/8.0.1/lib/32 -lguide -lpthread -L/opt/intel/mkl/8.0.1/lib/32 
 -lmkl_lapack64 -lmkl -lmkl_p4 -lvml
IPO link: can not find "cputim.o"
ifort: error: problem during multi-file optimization compilation (code 1)
make[1]: *** [lapw0] Error 1
make[1]: Leaving directory `/WIEN2k_09/SRC_lapw0'
make: *** [seq] Error 2
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

My OPTION file always work for me:
Suse 9.3 and ifort 8
current:FOPT:-FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -O3
current:FPOPT:-O3
current:LDFLAGS:-L/opt/intel/mkl/8.0.1/lib/32 -lguide -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/opt/intel/mkl/8.0.1/lib/32 -lmkl_lapack64 -lmkl -lmkl_p4 -lvml
current:RP_LIBS:


Any hint?
Regards
Ricardo
-------------------------------------------------------------------------
  Dr. Ricardo Faccio
  Prof. Adjunto de Física
  Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
  Facultad de Química, Universidad de la República
       Av. Gral. Flores 2124, C.C. 1157
       C.P. 11800, Montevideo, Uruguay.
  E-mail: rfaccio at fq.edu.uy
  Phone: 598 2 924 98 59
              598 2 929 06 48
  Fax:    598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
---------------------------------------------------------------------------------
----- Original Message ----- 
From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, February 05, 2009 1:12 PM
Subject: [Wien] WIEN2k_09.1 new version


> Dear WIEN2k users,
>
> A new version, WIEN2k_09.1 is ready for download.
>
> Have a look at http://www.wien2k.at/reg_user/updates
>
> Thank's to all contributors!
>
> -- 
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at    WWW: 
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> 



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