Local build

Prerequisites

The current version of MILADY requires:

• A fortran compiler (tested ifort > 2019.x.x, gfortran > 10.x.x)

• The LAPACK / SCALAPACK library (tested MKL distribution > 19.x.x)

• An MPI library (tested OpenMPI > 4.x.x or IntelMPI > 2019.x.x)

• CMake (tested > 3.18.x)

Compilation modes

MILADY has three compilation modes:

MILADY-MIX

• intel compilers (2022.0.1)

• MKL with ScaLapack support

• openmpi user-compiled, or system, compatible with intel compilers (> 4.x.x)

MILADY-INTEL

• intel compilers included in oneAPI distribution

• MKL with ScaLapack support both of them included in the oneAPI distribution

• intelmpi equally included in oneAPI distribution.

MILADY-GNU

• GNU compilers (min V9)

• MKL or LAPACK/ScaLapack support for GNU.

• openmpi user-compiled, or system, gnu-compiled

Hint

Our preference is MILADY-MIX, using the intel fortran compiler and MKL / SCALAPACK provided by oneAPI (> 2022.x.x). OpenMPI (> 4.x.x) is compiled by our means using ifort compiler.

Compilation

Step 1: Setting environment variables

In the following, MILADY refers to the github repository.

1. Create a directory MLD and copy MILADY in that location. Hereafter, ${MLD} is the location of MLD directory.

2. Your environment should contain the following 9 variables, which are compulsory for the compilation MILADY

   The first six variables:

   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
   

   Note

   mld_build and mld_install will be created by the installation procedure, whilst mld_testdir is a directory of tests that is not compulsory (more details later).

   The last 3 variables, followed by a redefinition of PATH:

   export MKL_ROOT=${MKLROOT}
   export OMP_INSDIR=/usr/local/iopenmpi
   export OMP_ROOT=${OMP_INSDIR}
   export PATH=${MLD_ROODIR}/MILADY/scripts:${PATH}
   

   MKL_ROOT and OMP_INSDIR should contain the installation path to MKL and openMPI, respectively.

   Tip

   (Optional) It can be more convenient to set the environment variable using a bash function:

   function f_setenv_milady_marinica {
     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="${HOME}/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=/usr/local/iopenmpi/
     export OMP_ROOT=/usr/local/iopenmpi/
   
     export PATH=${MLD_SRCDIR}/scripts:${PATH}
   }
   

Step 2: Compilation

1. Charge the bash functionalities:

   source ${MLD_SRCDIR}/scripts/compile_milady.bash
   

   with a typical output:

   Now you could type:
   f_setenv_milady
   f_compile_milady_mix or
   f_compile_milady_intel or
   f_compile_milady_gnu
   

2. Invoke CMake (here in MILADY-MIX mode):

   f_compile_milady_mix
   

   with a typical output:

   Now you could type:
   make -j6
   make install
   f_ctest_milady
   f_explore_milady
   

3. Compile the code (as suggested by the output of 2.)

   make -j6 # will use 6 parallel jobs
   

THAT’S ALL FOLKS !!! The executable is in bin/milady_main.exe.

In order to test, run the step-by-step examples provided in the Examples section.