Easy and fast way to compiler with Intel parallel studio XE 2019 Update 4 -Abinit 8.10.3

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nhankg2016
Posts: 2
Joined: Wed Jul 01, 2020 11:14 am

Easy and fast way to compiler with Intel parallel studio XE 2019 Update 4 -Abinit 8.10.3

Post by nhankg2016 » Wed Jul 01, 2020 11:40 am

Hi all,

It's fast way to compiler with ubuntu 18.04.

But first you need :
sudo apt update
sudo apt install build-essential
sudo apt install python
If you configure with intel parallel studio XE 2019 update 4 (Intel),

Code: Select all

 enable_mpi=yes
enable_mpi_io="yes"
enable_gw_dpc="yes"
enable_64bit_flags="yes"
enable_optim="aggressive"
CC="mpiicc"
CXX="mpiicpc"
FC="mpiifort"
FCFLAGS_EXTRA=""
with_linalg_flavor="mkl" 
with_linalg_incs="-I/home/intel/parallel_studio_xe_2019.4.070/compilers_and_libraries_2019/linux/mkl/include/intel64/lp64 -I/home/intel/compilers_and_libraries_2019.4.243/linux/mkl/include" 
with_linalg_lib="-L/home/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread -lm -ldl"
with_mpi_ics="-I/home/intel/compilers_and_libraries_2019.4.243/linux/mpi/intel64/include"  
with_mpi_libs="-L/home/intel/compilers_and_libraries_2019.4.243/linux/mpi/intel64/lib -lmpi_lp64"
with_fft_flavor="dfti"
Copy and create a text code ***.ac in Abinit folder

Run command ./configure --with-config-file="./***.ac" in abinit floder.

Code: Select all

make clean

make -j 4 or or make -j n for using “n” processors on a SMP machine where you have to replace “n” by its value

cd tests
export MKL_NUM_THREADS=1
./runtests.py  fast -j 4

make install

ebousquet
Posts: 469
Joined: Tue Apr 19, 2011 11:13 am
Location: University of Liege, Belgium

Re: Easy and fast way to compiler with Intel parallel studio XE 2019 Update 4 -Abinit 8.10.3

Post by ebousquet » Wed Aug 12, 2020 4:03 pm

Thank you a lot for the tips!
Eric

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