[Wien] Installation problem

Laurence Marks L-marks at northwestern.edu
Mon Oct 2 15:02:32 CEST 2017


You have a typo in the configuration; it should be -llapack (missing "-").

---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
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Co-Editor, Acta Cryst A


On Oct 2, 2017 07:59, "Rajneesh Chaurasiya" <rajnano2012 at gmail.com> wrote:

> Dear Wien2k users,
>
> I am installing Wien2k 17.1 in cluster using gfortran compiler and when i
> did the ./siteconfig_lapw but i already installed the lapack and blas.
>
> gfortran -o ./lapw0 cputim.o modules.o  W2kinit.o fft_modules.o
> reallocate.o acggac.o ainv.o ak13.o am05_xscss.o b88.o br89.o brj.o cap.o
> charge.o chfac.o chslv.o corgga.o corpbe_revtpss.o corpbe_tpss.o
> cub_xc_back.o corlsd.o dergl.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 fftpack_helpers.o fithi.o fxhpbe.o fx_revtpss.o fx_tpss.o
> gbass.o gbj.o gcor.o gea.o geaex.o  getff1.o getfft.o gpoint.o gpointm.o
> grans.o gtfnam.o hcthc.o hcthx.o hjs.o htbs.o id_func_get.o ifflim.o
> inputpars.o kcis.o lapw0.o latgen.o lb94.o libxc.o lyp.o mbeefx.o mgga_ms.o
> multfc.o multsu.o mvsx.o optb86b.o optb88.o outerr.o pbea.o pbec.o pbeint.o
> pbex.o poissn.o potfac.o pwxad4.o pwxad5.o qranf.o readstruct.o rean0.o
> rean1.o rean3.o rean4.o rge2.o rhopw.o rotate.o rotdef.o rpbe.o scanc.o
> scanx.o setff0.o setff1.o setfft.o setff2.o seval.o sevald.o sevaldd.o
> sevali.o sevalin.o sg4c.o sg4x.o sicpbe.o sicpbe_revtpss.o sicpbe_tm.o
> sicpbe_tpss.o sphbes.o spline.o srolyl.o stern.o sumfac.o suml.o SymmRot.o
> th1.o th2.o tmx.o vpw91.o vresp.o vs98.o vwn5.o vxc15.o vxc16.o vxc17.o
> vxc24.o vxc26.o vxclm2.o vxcpw2.o vxi35.o vxi35a.o vx_screened.o wc05.o
> workf1.o W2kutils.o xcener.o xcpot.o xcpot1.o xcpot3.o ykav.o ylm.o
> -ffree-form -O2 -ffree-line-length-none   -L../SRC_lib  llapack_lapw
> -lblas_lapw -llapack_lapw -lblas_lapw
> gfortran: llapack_lapw: No such file or directory
> make[1]: *** [lapw0] Error 1
> make[1]: Leaving directory `/home/IITJHOME/faculty/phy/
> ambeshst/software/Wien2k/SRC_lapw0'
> make: *** [seq] Error 2
> make: Warning: File `Makefile' has modification time 1e+05 s in the future
> make: *** No rule to make target `complex'.  Stop.
> Copying programs
> WARNING: no executable found in SRC_lapw0. Check compile.msg in this
> directory
>
> done.
>
> Compile time errors (if any) were:
> SRC_aim/compile.msg:make[1]: *** [aim] Error 1
> SRC_aim/compile.msg:make: *** [real] Error 2
> SRC_aim/compile.msg:make[1]: *** [aimc] Error 1
> SRC_aim/compile.msg:make: *** [complex] Error 2
> SRC_dipan/compile.msg:make: *** [dipan] Error 1
> SRC_dstart/compile.msg:make[1]: *** [dstart] Error 1
> SRC_dstart/compile.msg:make: *** [seq] Error 2
> SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error 1
> SRC_filtvec/compile.msg:make: *** [real] Error 2
> SRC_filtvec/compile.msg:make[1]: *** [filtvecc] Error 1
> SRC_filtvec/compile.msg:make: *** [complex] Error 2
> SRC_hf/compile.msg:make[1]: *** [hf] Error 1
> SRC_hf/compile.msg:make: *** [real] Error 2
> SRC_hf/compile.msg:make[1]: *** [hfc] Error 1
> SRC_hf/compile.msg:make: *** [complex] Error 2
> SRC_IRelast/compile.msg:Error: Old-style type declaration REAL*16 not
> supported at (1)
> SRC_IRelast/compile.msg:make: *** [TWS.o] Error 1
> SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
> SRC_lapw0/compile.msg:make: *** [seq] Error 2
> SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
> SRC_lapw1/compile.msg:make: *** [real] Error 2
> SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
> SRC_lapw1/compile.msg:make: *** [complex] Error 2
> SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1
> SRC_lapw2/compile.msg:make: *** [real] Error 2
> SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1
> SRC_lapw2/compile.msg:make: *** [complex] Error 2
> SRC_lapw5/compile.msg:make[1]: *** [lapw5] Error 1
> SRC_lapw5/compile.msg:make: *** [real] Error 2
> SRC_lapw5/compile.msg:make[1]: *** [lapw5c] Error 1
> SRC_lapw5/compile.msg:make: *** [complex] Error 2
> SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1
> SRC_lapw7/compile.msg:make: *** [real] Error 2
> SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1
> SRC_lapwdm/compile.msg:make: *** [real] Error 2
> SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1
> SRC_lapwdm/compile.msg:make: *** [complex] Error 2
> SRC_lapwso/compile.msg:make[1]: *** [lapwso] Error 1
> SRC_lapwso/compile.msg:make: *** [seq] Error 2
> SRC_lcore/compile.msg:make: *** [lcore] Error 1
> SRC_mini/compile.msg:make: *** [mini] Error 1
> SRC_mixer/compile.msg:make: *** [mixer] Error 1
> SRC_nlvdw/compile.msg:make[1]: *** [nlvdw] Error 1
> SRC_nlvdw/compile.msg:make: *** [seq] Error 2
> SRC_nmr/compile.msg:make[1]: *** [nmr] Error 1
> SRC_nmr/compile.msg:make: *** [real] Error 2
> SRC_nmr/compile.msg:make[1]: *** [nmrc] Error 1
> SRC_nmr/compile.msg:make: *** [complex] Error 2
> SRC_pairhess/compile.msg:make: *** [pairhess] Error 1
> SRC_qtl/compile.msg:make: *** [qtl] Error 1
> SRC_structeditor/compile.msg:make[1]: *** [ncmsymmetry] Error 1
> SRC_structeditor/compile.msg:make: *** [all] Error 2
> SRC_trig/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
> 'realloc_a_d3' in generic interface 'realloc' at (1)
> SRC_trig/compile.msg:make[1]: *** [lib/util_w2w.o] Error 1
> SRC_trig/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
> SRC_vecpratt/compile.msg:make[1]: *** [vecpratt] Error 1
> SRC_vecpratt/compile.msg:make: *** [real] Error 2
> SRC_vecpratt/compile.msg:make[1]: *** [vecprattc] Error 1
> SRC_vecpratt/compile.msg:make: *** [complex] Error 2
> SRC_w2w/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
> 'realloc_a_d3' in generic interface 'realloc' at (1)
> SRC_w2w/compile.msg:make: *** [lib/util_w2w.o] Error 1
> SRC_w2w/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
> 'realloc_a_d3' in generic interface 'realloc' at (1)
> SRC_w2w/compile.msg:make: *** [lib/util_w2w.o] Error 1
> SRC_wplot/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
> 'realloc_a_d3' in generic interface 'realloc' at (1)
> SRC_wplot/compile.msg:make[1]: *** [lib/util_w2w.o] Error 1
> SRC_wplot/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
> SRC_wplot/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
> 'realloc_a_d3' in generic interface 'realloc' at (1)
> SRC_wplot/compile.msg:make[1]: *** [lib/util_w2w.o] Error 1
> SRC_wplot/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
> SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry]
> Error 1
>
> Check file   compile.msg   in the corresponding SRC_* directory for the
> compilation log and more info on any compilation problem.
>
>
> --
> Thanks & Regards
> Rajneesh Chaurasiya
> Research Scholar
> IIT Jodhpur, India
> Mob. No. +91-9584499697
>               +91-7610950803
>
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