OpenMP Support with Intel 19.1 Compiler
Posted: Fri Jul 17, 2020 4:31 pm
Dear All,
We are using the latest release of the Intel Parallel Studio XE Professional. This comes with the Intel 19.1 compiler suite. I am struggling with 2 things:
1/ I am not able to build ABINIT v8.10.3 with openMP support.
enable_openmp="yes" is not working. Seems like adding this to config file is causing the build system to start looking for gfortran compiler. If I switch this off then build goes forward fine.
2/ Build system keeps ignoring the MKL libraries. I get
* MATH flavor = none (libs: ignored)
Please see my config and results below:
config file
CC=mpiicc;
FC=mpiifort;
CXX=mpiicpc;
#enable_openmp="yes"
enable_mpi="yes"
enable_mpi_inplace="yes"
with_mpi_incs="-I${I_MPI_ROOT}/intel64/include"
with_mpi_libs="-L${I_MPI_ROOT}/intel64/lib -lmpi"
with_fft_incs="-I${MKLROOT}/include"
with_fft_libs="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl"
with_fft_flavor="fftw3-mkl"
with_linalg_incs="-I${MKLROOT}/include"
with_linalg_libs="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl"
with_linalg_flavor="mkl"
ConfigResults
Summary of important options:
* C compiler : intel version 19.1
* Fortran compiler: intel version 19.1
* architecture : intel xeon (64 bits)
* debugging : basic
* optimizations : standard
* OpenMP enabled : no (collapse: ignored)
* MPI enabled : yes
* MPI-IO enabled : auto
* GPU enabled : no (flavor: none)
* TRIO flavor = none
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = mkl (libs: user-defined)
* ALGO flavor = none (libs: ignored)
* FFT flavor = fftw3-mkl (libs: user-defined)
* MATH flavor = none (libs: ignored)
* DFT flavor = none
Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>")
We are using the latest release of the Intel Parallel Studio XE Professional. This comes with the Intel 19.1 compiler suite. I am struggling with 2 things:
1/ I am not able to build ABINIT v8.10.3 with openMP support.
enable_openmp="yes" is not working. Seems like adding this to config file is causing the build system to start looking for gfortran compiler. If I switch this off then build goes forward fine.
2/ Build system keeps ignoring the MKL libraries. I get
* MATH flavor = none (libs: ignored)
Please see my config and results below:
config file
CC=mpiicc;
FC=mpiifort;
CXX=mpiicpc;
#enable_openmp="yes"
enable_mpi="yes"
enable_mpi_inplace="yes"
with_mpi_incs="-I${I_MPI_ROOT}/intel64/include"
with_mpi_libs="-L${I_MPI_ROOT}/intel64/lib -lmpi"
with_fft_incs="-I${MKLROOT}/include"
with_fft_libs="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl"
with_fft_flavor="fftw3-mkl"
with_linalg_incs="-I${MKLROOT}/include"
with_linalg_libs="-L${MKLROOT}/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -lpthread -lm -ldl"
with_linalg_flavor="mkl"
ConfigResults
Summary of important options:
* C compiler : intel version 19.1
* Fortran compiler: intel version 19.1
* architecture : intel xeon (64 bits)
* debugging : basic
* optimizations : standard
* OpenMP enabled : no (collapse: ignored)
* MPI enabled : yes
* MPI-IO enabled : auto
* GPU enabled : no (flavor: none)
* TRIO flavor = none
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = mkl (libs: user-defined)
* ALGO flavor = none (libs: ignored)
* FFT flavor = fftw3-mkl (libs: user-defined)
* MATH flavor = none (libs: ignored)
* DFT flavor = none
Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>")