[Pw_forum] LAPACK_LIB

[Ari P Seitsonen]

Dear Riemann,

[ Please read the instruction about posting to this forum - in particular 
about the affiliation ]

   You probably have an (old) version of MKL installed; we have here

#> ifort --version
# ifort (IFORT) 12.0.4 20110427

and the accompanying MKL libraries

#> TMP=dirname\ `which ifort`
#> ls `$TMP`/../mkl/lib/intel64
libmkl_avx.so                   libmkl_intel_sp2dp.so
libmkl_blacs_ilp64.a            libmkl_intel_thread.a
libmkl_blacs_intelmpi_ilp64.a   libmkl_intel_thread.so
libmkl_blacs_intelmpi_ilp64.so  libmkl_lapack95_ilp64.a
libmkl_blacs_intelmpi_lp64.a    libmkl_lapack95_lp64.a
libmkl_blacs_intelmpi_lp64.so   libmkl_mc3.so
libmkl_blacs_lp64.a             libmkl_mc.so
libmkl_blacs_openmpi_ilp64.a    libmkl_p4n.so
libmkl_blacs_openmpi_lp64.a     libmkl_pgi_thread.a
libmkl_blacs_sgimpt_ilp64.a     libmkl_pgi_thread.so
libmkl_blacs_sgimpt_lp64.a      libmkl_rt.so
libmkl_blas95_ilp64.a           libmkl_scalapack_ilp64.a
libmkl_blas95_lp64.a            libmkl_scalapack_ilp64.so
libmkl_cdft_core.a              libmkl_scalapack_lp64.a
libmkl_cdft_core.so             libmkl_scalapack_lp64.so
libmkl_core.a                   libmkl_sequential.a
libmkl_core.so                  libmkl_sequential.so
libmkl_def.so                   libmkl_solver_ilp64.a
libmkl_gf_ilp64.a               libmkl_solver_ilp64_sequential.a
libmkl_gf_ilp64.so              libmkl_solver_lp64.a
libmkl_gf_lp64.a                libmkl_solver_lp64_sequential.a
libmkl_gf_lp64.so               libmkl_vml_avx.so
libmkl_gnu_thread.a             libmkl_vml_def.so
libmkl_gnu_thread.so            libmkl_vml_mc2.so
libmkl_intel_ilp64.a            libmkl_vml_mc3.so
libmkl_intel_ilp64.so           libmkl_vml_mc.so
libmkl_intel_lp64.a             libmkl_vml_p4n.so
libmkl_intel_lp64.so            locale
libmkl_intel_sp2dp.a

If you have a similar answer, you can tell 'configure' how/where to find 
those libraries. A small sidenote: In our version there is apparently a 
problem in the ScaLAPACK, all the jobs with at least four tasks per k 
point crash inside MKL. Maybe you are lucky and don't have that problem - 
it varies from version to version, where some work, some not (the code 
CP2K relies a lot on ScaLAPACK and there we have the same issue).

     Greetings and Good Luck from Sunny Zurich,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Institut für Chemie der Universität Zürich, CH-8057 Zürich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935


On Sun, 18 May 2014, Riemann Derakhshan wrote:

> Dear Espresso User
> 
> I've Download the newest version of Quantum espresso and try install it. but
> in ./configure  step
> 
> 
> It could not find Lapack Libraries directory, but  I have installed Ifort
> 12.0.4. I wnat to know how I
> 
> can  introduce lapack libraries directory for QE. You do favour if You give
> me any guidance to
> 
> overcome this problem.
> 
> 
> 
> Sincerely
> 
> Riemann
>