[Wien] undefined reference

[Gavin Abo]

undefined reference to `ssteqr_' => I believe that is a lapack 
function.  I don't see the lapack library (-lmkl_lapack95_lp64) in the 
mpif90 line of your post.

In siteconfig, the -lmkl_lapack95_lp64 should be in your serial R_LIB 
settings.  Then, $(R_LIBS) should be in your parallel RP_LIB settings 
similar to what you see in the post at:

http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07331.html

On 2/28/2017 9:49 AM, ahmed amine wrote:
>
> Hello,
>
>
> I'm trying to compile Wien2k16.1 on cluster with
>
> intel/icc-12.1.3
> intel/ifort-12.1.0
> openmpi/2.0
> fftw/3.3.5
>
>
> *I get the following error*
>
>
> mpif90 -o dstart_mpi module.o W2kinit.o  atom_read.o atom_write.o 
> atom_superpos.o charge.o cputim.o cub_xc_back.o deter.o dstart.o 
> errclr.o errflg.o getfft.o gpoint.o gtfnam.o init.o integrn.o 
> inter_superpos.o inter_write.o kapp.o kdelta.o ifflim.o make_inter.o 
> make_neigh_list.o make_spheres.o normal.o old_dstart.o outerr.o 
> recpr.o rgen.o rotate.o rotdef.o setn.o somm1.o somm2.o stern.o somm.o 
> sortag.o suml.o sumfac.o SymmRot.o W2kutils.o ylm.o zfft3d.o -O1 -FR 
> -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume 
> buffered_io 
> -I/opt/intel/composer_xe_2011_sp1.7.256/mkl:/opt/intel/composer_xe_2011_sp1.9.293/mkl/include 
> -DFFTW3 -I/usr/lib64/fftw-3.3.5-mpi/include 
> -L/opt/intel/composer_xe_2011_sp1.7.256/mkl:/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/ 
> -pthread  -lfftw3_mpi -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64
> W2kinit.o: In function `w2kinit_':
> W2kinit.F:(.text+0x517): undefined reference to `vmlsetmode_'
> normal.o: In function `normal_':
> normal.f:(.text+0x1cf): undefined reference to `zdscal_'
> /opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(blacs_extended.o): 
> In function `MKL_BLACS_Deallocate':
> _blacs_extended.c:(.text+0x702): undefined reference to 
> `mkl_serv_deallocate'
> /opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a(blacs_extended.o): 
> In function `MKL_BLACS_ALLOCATE':
> _blacs_extended.c:(.text+0x72e): undefined reference to 
> `mkl_serv_allocate'
> /opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_scalapack_lp64.so: 
> undefined reference to `ssteqr_'
> /opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_scalapack_lp64.so: 
> undefined reference to `dsyr2k_'
> /opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_scalapack_lp64.so: 
> undefined reference to `cscal_'

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170228/ebf6cf36/attachment.html>