[Pw_forum] linking to math libraries in QE 5.0

[m]

*on Sun May 27 16:47:28 CEST 2012 Paolo wrote :*
*
*

> Compare what is done in v.4.3.2 with what is done in v.5.0;
> compare what is done for pw.x and what is done for all other codes.

*
*
* * In the below* *lines the compilation of pw.x and
generate_vdW_kernel_table.f90 for QE-5.0 and QE-4.3.2 is compared. At this
point the error appears for QE-5.0 but everything is OK for QE- 4.2 - QE
4.3.2.


  QE- 5.0 :

  mpif90 -g -o pw.x \
   pwscf.o  libpw.a ../../Modules/libqemod.a ../../flib/ptools.a
../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a
-lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64   -lmkl_intel_lp64
 -lmkl_sequential -lmkl_core
( cd ../../bin; ln -fs ../PW/src/pw.x . )
mpif90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI
-D__PARA -D__SCALAPACK -I../include -I../../iotk/src -I../../Modules -I. -c
generate_vdW_kernel_table.f90
mpif90 -g -o generate_vdW_kernel_table.x \
generate_vdW_kernel_table.o ../../Modules/libqemod.a libpw.a
../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a
../../iotk/src/libiotk.a -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64
-lmkl_intel_lp64  -lmkl_sequential -lmkl_core
/lib/../lib/libmkl_core.so: undefined reference to
`mkl_pds_sp_blkslv_pardiso'
/lib/../lib/libmkl_core.so: undefined reference to `mkl_lapack_zgetrf'
/lib/../lib/libmkl_core.so: undefined reference to `mkl_serv_xerbla'
. . .
. . .
. . .

*** [generate_vwd_kernel_table.x] error 1


QE- 4.3.2 :

mpif90 -g -o pw.x \
   pwscf.o  libpw.a ../Modules/libqemod.a ../flib/ptools.a ../flib/flib.a
../clib/clib.a ../iotk/src/libiotk.a     -lmkl_intel_lp64  -lmkl_sequential
-lmkl_core
( cd ../bin; ln -fs ../PW/pw.x . )
mpif90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI
-D__PARA -I../include -I../iotk/src -I../Modules -I. -c
generate_vdW_kernel_table.f90
mpif90 -g -o generate_vdW_kernel_table.x \
generate_vdW_kernel_table.o ../Modules/libqemod.a libpw.a ../flib/ptools.a
../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a     -lmkl_intel_lp64
 -lmkl_sequential -lmkl_core
( cd ../bin; ln -fs ../PW/generate_vdW_kernel_table.x . )
make[1]: Leaving directory `/home/luca/QE4.3.2/espresso-4.3.2/PW'

the same error happens for QE-5.0 when I make neb or pp.

Many Thanks




Ciao, m



----------------------------------------
Masoud Nahali,
International School for Advanced Studies (SISSA)
Sharif University of Technology
masoud.nahali at gmail.com
alum.sharif.edu/~m_nahali
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