[Wien] WIEN2k_09.1 new version
Ricardo Faccio
rfaccio at fq.edu.uy
Thu Feb 5 23:15:46 CET 2009
Ok!
I copied the file cputim.c fron SRC_lapw1/ and now it works. The file is not
in the folder SRC_lapw0.
Pretty easy this time!
Many thanks
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 6:05 PM
Subject: Re: [Wien] WIEN2k_09.1 new version
> cputim.o should be created by your C-compiler from cputim.c
> Check if it is present!
> Actually, the same cputim.c routine is used in several other packages
> (dstart, lapw1, lapw2,.....)
>
> You should have a line like:
> cc -c cputim.c
>
> in compile.msg ???
>
> Incompatible C compiler ? But why would it work in the other packages ?
> Eventually, cp SRC_lapw1/cputim.o SRC_lapw0/cputim.o
>
>
> Ricardo Faccio schrieb:
>> 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
>>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
More information about the Wien
mailing list