[QE-users] Building QE 6.5 with MKL static link

[Paolo Giannozzi]

You should look into install/config.log and figure out why all linking test
fail. Alternatively: run "configure" for normal (dynamic) linking, manually
edit make.inc

Paolo

On Sat, Feb 22, 2020 at 12:22 PM Caleb Ho <calebh at fb.com> wrote:

> Hi all,
>
> I'm trying to build 6.5 (specifically, I'm at the "qe-6.5" tag) with Intel
> MKL statically linked. I've attached the output and settings I put into MKL
> Link Line Advisor. Here's the beginning output of configure which fails to
> find dgemm:
>
> $ ./configure
> checking build system type... x86_64-pc-linux-gnu
> checking ARCH... x86_64
> checking setting AR... ... ar
> checking setting ARFLAGS... ... ruv
> checking for gfortran... gfortran
> checking whether the Fortran compiler works... yes
> checking for Fortran compiler default output file name... a.out
> checking for suffix of executables...
> checking whether we are cross compiling... no
> checking for suffix of object files... o
> checking whether we are using the GNU Fortran compiler... yes
> checking whether gfortran accepts -g... yes
> checking for mpif90... mpif90
> checking whether we are using the GNU Fortran compiler... yes
> checking whether mpif90 accepts -g... yes
> checking version of mpif90... gfortran 5.3
> checking for Fortran flag to compile .f90 files... none
> setting F90... gfortran
> setting MPIF90... mpif90
> checking whether we are using the GNU C compiler... yes
> checking whether /public/apps/gcc/5.3.0/bin/gcc accepts -g... yes
> checking for /public/apps/gcc/5.3.0/bin/gcc option to accept ISO C89...
> none needed
> setting CC... /public/apps/gcc/5.3.0/bin/gcc
> setting CFLAGS... -O3
> checking for gfortran... gfortran
> checking whether we are using the GNU Fortran 77 compiler... yes
> checking whether gfortran accepts -g... yes
> setting F77... gfortran
> using F90... gfortran
> setting FFLAGS... -O3 -g
> setting F90FLAGS... $(FFLAGS) -x f95-cpp-input
> setting FFLAGS_NOOPT... -O0 -g
> setting CPP... cpp
> setting CPPFLAGS... -P -traditional -Uvector
> setting LD... mpif90
> setting LDFLAGS...
> /public/apps/intel/mkl/2019.5.281/compilers_and_libraries_2019.5.281/linux/mkl/lib/intel64/libmkl_scalapack_lp64.a
> -Wl,--start-group
> /public/apps/intel/mkl/2019.5.281/compilers_and_libraries_2019.5.281/linux/mkl/lib/intel64/libmkl_gf_lp64.a
> /public/apps/intel/mkl/2019.5.281/compilers_and_libraries_2019.5.281/linux/mkl/lib/intel64/libmkl_sequential.a
> /public/apps/intel/mkl/2019.5.281/compilers_and_libraries_2019.5.281/linux/mkl/lib/intel64/libmkl_core.a
> /public/apps/intel/mkl/2019.5.281/compilers_and_libraries_2019.5.281/linux/mkl/lib/intel64/libmkl_blacs_openmpi_lp64.a
> -Wl,--end-group -lpthread -lm -ldl
> checking whether make sets $(MAKE)... yes
> checking whether Fortran files must be preprocessed... no
> checking for library containing dgemm... no
> MKL not found
> in
> /public/apps/intel/mkl/2019.5.281/compilers_and_libraries_2019.5.281/linux/mkl/lib/intel64:
> checking for library containing dgemm... no
> MKL not found
> in
> /public/apps/intel/mkl/2019.5.281/compilers_and_libraries_2019.5.281/linux/tbb/lib/intel64_lin/gcc4.7:
> checking for library containing dgemm... no
> MKL not found
> in
> /public/apps/intel/mkl/2019.5.281/compilers_and_libraries_2019.5.281/linux/compiler/lib/intel64_lin:
> checking for library containing dgemm... no
> MKL not found
>
> Best,
> Caleb Ho
> Facebook, Inc.
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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