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Problem installing latest version of elk code

2022-01-22
2022-01-28
  • Jagdish Kumar

    Jagdish Kumar - 2022-01-22

    Hi elk developers.
    I have been facing issue while compiling the latest version 8.3.15 of elk code. The previous version installs without any problem and it is first time I have faced any error with elk installation. I am using gfortran and below is the error:
    tdu.o vmatmtftm.o fyukawa.o fyukawa0.o readdmatmt.o writetm.o writetm3.o gendmftm.o writeftm.o writetm3td.o genwkpr0.o tm3rtoz.o rdmft.o rdmwriteengy.o rdmminc.o rdmvaryc.o rdmdedc.o rdmengyxc.o rdmminn.o rdmvaryn.o rdmdkdc.o rdmenergy.o rdmwritededn.o rdmdedn.o rdmdexcdn.o genvclijjk.o getvclijji.o getvclijjk.o writevclijji.o writevclijjk.o rdmdexcdc.o rdmdtsdn.o rdmentropy.o rdmeval.o genvclijji.o gwdmat.o gwlocal.o genwgw.o ksinvert.o gtwsum.o minf_nm.o acpole.o gwrhomag.o gwdmatk.o gwefermi.o dysonr.o gwsefm.o putgwsefm.o getgwsefm.o writeigw.o polefit.o gwchgk.o gwsefmk.o gwspecf.o writegwsf.o acgwse.o fmin_nm.o zfpole.o gwbandstr.o gwscrho.o atptstep.o potkst.o tdbackup.o writetimes.o readtimes.o gentimes.o readafieldt.o genjr.o tddft.o timestep.o tddftlr.o genhmlt.o writetddos.o writeafpdt.o readafindt.o genvfxc.o genfxcr.o tdtemp.o writetdlsj.o genspfxcr.o genvfxcg.o tddftsplr.o genspfxcg.o genafieldt.o writetddft.o dielectric_tdrt.o readjtot.o afindtstep.o genefieldt.o energytd.o engyknk.o readforcet.o tdrestart.o readdatposc.o writedatposc.o rhostatic.o jtotk.o rhosplot.o bornecdyn.o becforce.o zfirctof.o writeevalu.o writekpa.o genhdbulr.o vblocalu.o chargeu.o addbfsmu.o momentu.o occupyulr.o potksu.o writevclr.o genzvmatk.o genzvbmatk.o rhomagq.o writeengyu.o rfzfftq.o rhocoreu.o eveqnulr.o rhomaguk.o genhmlu.o potxcu.o writeinfou.o zfplot.o vclqinit.o writechgrmt.o initulr.o writemomrmt.o writestulr.o readstulr.o potefieldu.o puthdbulr.o gethdbulr.o potuinit.o readvclr.o genkpakq.o plotu1d.o plotu2d.o plotu3d.o gndstulr.o plotulr.o potuplot.o potcoulu.o rhouplot.o maguplot.o initw90.o writew90.o writew90win.o writew90eig.o setupw90.o writew90mmn.o writew90spn.o dmatuv.o dmatwx.o eveqnuv.o eveqnwxy.o writeevaluv.o occupyuv.o genwfuv.o putevaluv.o getevaluv.o putevecuv.o getevecuv.o putevecwxy.o getevecwxy.o putevalwx.o getevalwx.o aceplot.o writeevalwx.o lapack.a blas.a fftlib.a \

    cbsht.o: In function cbsht_': cbsht.f90:(.text+0x4f): undefined reference tocgemm_'
    cbsht.f90:(.text+0xb6): undefined reference to cgemm_' cfsht.o: In functioncfsht_':
    cfsht.f90:(.text+0x4f): undefined reference to cgemm_' cfsht.f90:(.text+0xb6): undefined reference tocgemm_'
    collect2: error: ld returned 1 exit status
    Makefile:228: recipe for target 'elk' failed
    make[1]: [elk] Error 1
    make[1]: Leaving directory '/home/jagdish/src/elk/8.3/15/src'
    Makefile:7: recipe for target 'all' failed
    make:
    [all] Error 2

     
  • J. K. Dewhurst

    J. K. Dewhurst - 2022-01-24

    Hi Jagdish,

    You're quite correct: I left out some of the single-precision BLAS and LAPACK routines with the last release.

    You can now download version 8.3.20 which has the complete set of files.

    However, I would encourage you to use optimised versions of BLAS, LAPACK and the FFT library (such as MKL, FFTW, BLIS, OpenBLAS, etc). These generally run much faster than the user-compiled versions.

    Regards,
    Kay.

     
  • Jagdish Kumar

    Jagdish Kumar - 2022-01-28

    Thanks Kay for your prompt response.

     

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