sec:insta_marconi:
Build on Marconi
Here we provide the instructions for building MILADY
on the widely used
supercomputer MARCONI.
Note
We describe here the way that we use and we know that it works. If you know a better procedure, we are happy to learn about your experience. You can email us to update the present documentation.
Step 1: Loading modules and setting bash environment
In the following, MILADY
refers to the GitHub repository. We preserve here the same structure of the
directories as in previous examples.
Create a directory
MLD
and copyMILADY
in that location. Hereafter,${MLD}
is the location ofMLD
directory.-
Set your
bash
environment. My${HOME}/.bashrc
file contains the following modules and variables:module load env-skl module load intel/pe-xe-2020--binary module load mkl/2020--binary module load intelmpi/2020--binary module load cmake/3.18.2 export I_MPI_FC=ifort export I_MPI_F90=ifort export I_PMI_CXX=g++ export I_MPI_CC=gcc
Note
mld_build
andmld_install
will be created by the installation procedure, whilstmld_testdir
is a directory with tests that is not compulsory. -
Define in your environment the following
bash
function (can be added at the end of your${HOME}/.bashrc
file)function f_setenv_milady{ unset MLD_ROODIR unset MLD_SCRDIR unset MLD_SRCDIR unset MLD_BUIDIR unset MLD_INSDIR unset MLD_TESDIR unset MLD_SETENV unset OMP_INSDIR unset OMP_ROOT export MLD_ROODIR="${MLD}/" export MLD_SRCDIR=${MLD_ROODIR}/MILADY export MLD_BUIDIR=${MLD_ROODIR}/mld_build export MLD_INSDIR=${MLD_ROODIR}/mld_install export MLD_TESDIR=${MLD_ROODIR}/mld_testdir export MLD_SETENV=ON export MKL_ROOT=${MKLROOT} export OMP_INSDIR=/cineca/prod/opt/compilers/intel/pe-xe-2020/binary/impi/2019.9.304/intel64/ export OMP_ROOT=/cineca/prod/opt/compilers/intel/pe-xe-2020/binary/impi/2019.9.304/intel64/ export PATH=${MLD_ROODIR}/MILADY/scripts:${PATH} }
Step 2: Installation
-
Charge the
MILADY
bash environment (do not forget to source your$HOME/.bashrc
file before it):f_setenv_milady source ${MLD}/MILADY/scripts/compile_milady.bash
Note
Do not forget that
${MLD}
is defined by you. It is the path to theMLD
directory. -
Install MILADY:
f_compile_milady_intel make -j6
And that is it ! The executable is in bin/milady_main.exe
.