[Wien] WIEN2k_09.1 new version
Peter Blaha
pblaha at theochem.tuwien.ac.at
Fri Feb 6 08:02:15 CET 2009
My mistake!
cputim.c is in the sources, but is removed by siteconfig.
What is "missing is "cputim_generic.c", which should be copied during
siteconfig.
Corrected version is on the web.
Ricardo Faccio schrieb:
> 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/
>>>> --------------------------------------------------------------------------
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