Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition
Compiling HOOMD-blue in RHEL/CentOS

Note: This documentation was written and tested in RHEL/CentOS 5.5. It may not work for other versions.

This page assumes that you have a standard terminal window open. Commands to run will be indicated as below:

 $echo hello hello  "$ " indicates a shell prompt. As demonstrated above, if you type "echo hello", then you should see the same output obtained above on the next line: "hello"

You must be the root user to install software. Become root by executing the following command.

 $su -  ## Development environment Install g++, boost, python headers, zlib headers, and git. $ yum install gcc-c++ boost boost-devel python-devel zlib-devel git-all


CMake is not available via yum, so download cmake-?.?.?-Linux-i386.sh from http://www.cmake.org/ . Replace ?.?.? with the most current version. The following terminal command is an example that downloads version 2.8.3

 $wget http://www.cmake.org/files/v2.8/cmake-2.8.3-Linux-i386.sh  Install CMake by executing $ bash cmake*.sh --prefix=/usr/local --exclude-subdir


## CUDA environment

Download the current version of the NVIDA CUDA toolkit from http://developer.nvidia.com/object/gpucomputing.html . The following terminal command is an example that downloads version 3.2 for RHEL/CentOS 5.5 x86_64

 $wget http://developer.download.nvidia.com/compute/cuda/3_2_prod/toolkit/cudatoolkit_3.2.16_linux_64_rhel5.5.run  Install the CUDA toolkit by executing $ bash cudatoolkit*.run


and following the onscreen prompts. Accept the default installation directory.

Add CUDA into the executable and library search paths by creating the following files. Create /etc/ld.so.conf.d/cuda.conf and add the following lines

/usr/local/cuda/lib
/usr/local/cuda/lib64


Then run

 $ldconfig  Create /etc/profile.d/cuda.sh and add the following lines if ! echo${PATH} | /bin/grep -q /usr/local/cuda/bin ; then
PATH=/usr/local/cuda/bin:${PATH} fi  You will need to logout and back in for the path setting to take effect. Download the latest drivers for your GPU from http://www.nvidia.com The following terminal command is an example that downloads version 260.19.21 for linux x86_64. If you do not have an NVIDIA GPU, proceed to the section Compile hoomd. $ wget http://us.download.nvidia.com/XFree86/Linux-x86_64/260.19.21/NVIDIA-Linux-x86_64-260.19.21.run


To install the driver, you must exit first logout of your X-windows session. At the login screen, press ctrl-alt-f1 to reach a text console. Login as root and execute the following commands

 $init 3$ yum install kernel-devel-uname -r
$bash NVIDIA-Linux-*.run  and follow the onscreen prompts to install the driver. Reboot the computer to load the new driver and re-enter the GUI login screen. $ shutdown now -r


## Compile hoomd

Log out of any root sessions that have been opened to install software above. Software should be compiled in a standard user account.

See Compile hoomd for instructions on compiling hoomd.

Documentation for HOOMD-blue v0.11.3
Generated on Wed Apr 10 2013 12:15:22 for HOOMD-blue by  1.8.0