HemoCell Getting Started

To get quickly started with HemoCell we recommend using our singularity [2] which can be downloaded from here: Downloads.

HemoCell with singularity

Requirements for running HemoCell with singularity:

Dependency Version
Singularity 2.4 or higher

To set up HemoCell with singularity you must first have a machine with singularity [2] installed. You need root access to a machine to install singularity. Pay attention to the version requirement of singularity. Singularity is still in beta and regularily making breaking changes.

After you finished setting up singularity you can download the HemoCell singularity image from here: Downloads.

The singularity image supports the following commands which should enable you to compile, run and parse output from HemoCell:

singularity exec hemocell.img make_library
This will copy the source files of HemoCell to the folder ./hemocell. Afterwards it will try to compile the HemoCell library within this folder while using the dependencies from the singularity image
singularity exec hemocell.img compile [<case>,…]
This will try to compile the case within the ./hemocell/cases/<case> folder. While compiling it will use the dependencies from the singularity image.
singularity exec hemocell.img compile_all
This will try to compile all the cases within the ./hemocell/cases/ folder. While compiling it will use the dependencies from the singularity image.
singularity exec hemocell.img run [–optional mpirun args] <case> <config>.xml
This runs the HemoCell case within ./hemocell/cases/<case>. The executable is called with mpirun and optional arguments (like -n 4). The output is thus stored in ./hemocell/cases/<case>/tmp/
singularity exec hemocell.img post_process [<case>,…]
This creates the *.xmf and *.csv files in the ./hemocell/cases/<case>/tmp directory. These files can be used to analyze the data (e.g. with Paraview [1]). This script removes previously generated csv and xmf files

Setting up HemoCell from source

Requirements for compiling and/or running HemoCell from source:

Dependency Version

OpenMpi or

Intel Mpi

1.10.2

17.0.5

Gcc 5.2.0
Cmake 3.7.2
Hdf5 1.8.16
Gnu Patch 2.7.5
h5py 2.6.0-1
(Optional) ParMetis 4.0.3
Palabos 2.0

On ubuntu 16.04 most of these dependencies can be installed by running:

sudo apt-get install make cmake g++-5 g++ libopenmpi-dev libhdf5-dev patch python-h5py

This leaves the palabos and Parmetis dependencies. Palabos can be downloaded from palabos.org. After downloading Palabos must be extracted to ./hemocell/palabos which can be done like so:

tar -xzf palabos-v2.0r0.tgz
mv palabos-v2.0r0 ./hemocell/palabos

After this palabos must be patched. This can be done by running ./patchPLB.sh from the ./hemocell/patch/ directory, like so:

cd hemocell/patch && ./patchPLB.sh

The patching should succeed even though there can be an offset in some files.

Parmetis can be downloaded from the parmetis site. Due to the license of parmetis we cannot distribute it with HemoCell. The parmetis download should be copied to the ./hemocell/external/ directory. If you need it because you want load balancing to be enabled you have to extract it with:

cd hemocell/external && tar -xzf parmetis-4.0.3.tar.gz

Compiling HemoCell from source

To compile HemoCell you can simply navigate to a case and invoke cmake there. We recommend to do it in the following way:

cd <path/to/case>
mkdir build
cd build
cmake ../
make

Cmake might sometimes fail while using the -j flag with make. Then simply try again.

Each case depends on the hemocell build located in hemocell/build/hemocell. Cmake is ran in this directory as a dependency of each case. It is also possible to first run cmake in the hemocell/build/hemocell directory to first build the library.

Furthermore a MakeFile is provided in the hemocell/cases directory. this makefile can be used to update build files for all cases (see hemocell/cases/MakeFile for more info)

Generating initial positions for cells

At some point you might want to run a slighty different geometry, or run your simulation with a different concentration of cells. For this we offer the packCells tool which can be found in the ./hemocell/packCells directory.

This tool has a CMake file and can be build with:

cd ./tools/packCells
mkdir build && cd build
cmake ../
make

The result should be a packCells binary. This program offers a rich suite of options to generate initial conditions for cells. Just type ./packCells --help to see how it works.

The resulting *.pos files can be copied to the case where you want to use them.

Running a HemoCell case

A HemoCell case should be run within the folder containing the .xml and .pos files. You can specify the number of desired processors with mpirun. The only argument for the case should be the config.xml file. A typical command looks like this:

cd hemocell/cases/pipeflow
mpirun -n 4 ./pipeflow config.xml

Parsing the output of a HemoCell case

a HemoCell case produces multiple types of output. The simplest is the csv output which consists of all the information about cells in csv files. To merge the csv files into a single one per timestep you can use the script hemocell/scripts/CellInfoMergeCSV.sh in the tmp directory. This will generate them for you.

The more detailed ouput on both the fluid field and particle field is stored in hdf5 format. We recommend using the xdmf [3] format to make these readable for paraview [1] . To generate .xmf files run the hemocell/scripts/batchPostProcess.sh script.

When you have created the .xmf files you can load them into paraview, please select the Legacy xdmf file format when loading them in. the HemoCell .xmf files are not yet Xdmf3 compatible.

[1](1, 2) https://paraview.org
[2](1, 2) singularity.lbl.gov
[3]Xdmf.org