[DFTB-Plus-User] DFTB+ compiling problem

Alexander G. Kvashnin agkvashnin at gmail.com
Mon Oct 29 15:26:17 CET 2012


Dear  Bálint,

Thank you for answer.

I checked the line, and it's fine, there are no "linebreakes" and other
mistakes or etc.
Also I know that ifort at this machine is fine, because I compiled another
programs using it, and there were no problems.

when I tried to use standartt make file with libraries like these


LIB_BLAS = -Wl,--start-group \
  $(MKL_LIBDIR)/libmkl_intel_lp64.a \
  $(MKL_LIBDIR)/libmkl_intel_thread.a \
  $(MKL_LIBDIR)/libmkl_core.a \
  -Wl,--end-group \
  -liomp5 -lpthread

I had similar error but with line

 ld: cannot find -lpthread

I don't know what happend in this case, because all these libraries are on
machine and all pathes are fine.

--
Alexander



On 29 October 2012 16:36, Bálint Aradi <balint.aradi at bccms.uni-bremen.de>wrote:

> Dear Alexander,
>
> > ...
> > o m_entities.o m_dictionary.o m_charset.o m_debug.o m_reader.o m_io.o
> > m_xml_error.o m_converters.o hsdutils.o tokenreader.o unitconversion.o
> > disp_uff_data.o general_list.o oldcompat.o wrapped_pointers.o
> > type_geometry_hsd.o old_sk_data.o stressTensor.o taggedout.o
> > densitymatrix.o etemp.o hermite.o ext_erfc.o fact.o repulsive.o
> > spinorbit.o forces.o  -L/share/intel/mkl/lib/intel64
> >  -L/share/intel/mkl/lib/intel64  -lmkl_scalapack_lp64  -Wl,--start-group
> > -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64
> > -Wl,--end-group
> > ld: cannot find -lm
> > make[1]: *** [dftb+] Error 1
> > rm parser.f90 md_integrator.f90 slako_eq_grid.f90 short_gamma.f90
> > spin.f90 md_common.f90 geoopt.f90 disp_common.f
> > ...
>
>  Are you sure, it is not some "linebreak" issue? Usually, you should not
> have anywhere "-lm" in amount your explicitely specified libraries,
> unless, you have some linebreak there, chopping of the rest of the name
> of an other library (like -lmkl....).
>
>  Alternatively, are you sure, the ifort installation is fine on that
> machine?
>
>   Best regards,
>
>   Bálint
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b_aradi/
>
>
>
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>
>
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