Installation

Required libraries

In order to compile pCI the following software libraries and tools are required:

• Intel Fortran compiler 2020u4+

• CMake v3.12+

• OpenMPI v4.1+

• Python v3.x

Older versions of each library may be usable, but the listed versions have been tested.

On HPC clusters

If working on an HPC cluster, environment modules may be available using module load <package> for each required library. Please check your cluster’s documentations for more information.

Obtaining the source code

Users can download the latest version of the pCI code package from our GitHub repository.

via direct download

From the GitHub repository, click on the green <> Code button towards the top, then click Download ZIP. You can then unzip the downloaded file to obtain the source codes.

via git

From the command line, you can clone the latest version:

git clone https://github.com/ud-pci/pCI.git

Compiling with CMake

The codes are built using CMake and the CMakeLists.txt files in the root and /src directories. The following are some example builds on the DARWIN computing cluster.

A general build can be done:

$ cd pCI
$ mkdir build
$ cd build
$ FC=ifort cmake -DMPI_HOME=${OPENMPI_PREFIX} -DCMAKE_INSTALL_PREFIX=$(pwd)/../ ..
   :
$ make
$ make install

A Debug build can be done:

$ cd pCI
$ mkdir build-debug
$ cd build-debug
$ FC=ifort cmake -DCMAKE_BUILD_TYPE=Debug -DMPI_HOME=${OPENMPI_PREFIX} -DCMAKE_INSTALL_PREFIX=$(pwd)/../debug ..
   :
$ make
$ make install

An optimized build demands a little more:

$ cd pCI
$ mkdir build-opt
$ cd build-opt
$ FC=ifort cmake -DCMAKE_BUILD_TYPE=Release -DMPI_HOME=${OPENMPI_PREFIX} -DCMAKE_INSTALL_PREFIX=$(pwd)/../opt -DCMAKE_Fortran_FLAGS_RELEASE="-g -O3 -mcmodel=large -xHost -m64" ..
   :
$ make
$ make install