In the long run, MCX will support most modern GPUs. However, at this point, MCX only has a CUDA version that is supported by nVidia graphics cards. In order to run MCX-CUDA, you have to make sure you have the right hardware and software support, this includes:
If you plan to purchase a graphics card that can run mcx, you can consult the following search links:
MCX performs nicely on a low-cost 8800GT card (for a given number of threads, MCX's speed on 8800GT is a few percent faster than the higher models; however, higher models allow to run more threads).
Once you are convinced that your hardware and software support are both in-place, you need to setup the system environment variable in order to let MCX find the needed CUDA run-time library. For Linux and Mac OS users, you might need to add the following settings to your shell initialization file. Use "echo $SHELL" command to identify your shell type. For c-shell, i.e. csh/tcsh, add the following lines to your ~/.cshrc file
if ("uname -p
" =~ "*_64" ) then
setenv LD_LIBRARY_PATH "/usr/local/cuda/lib64"
else
setenv LD_LIBRARY_PATH "/usr/local/cuda/lib"
endif
setenv PATH "/usr/local/cuda/bin:$PATH"
and for "bash" or "sh" users, add
if [[ "uname -p
" =~ .*_64 ]]; then
export LD_LIBRARY_PATH="/usr/local/cuda/lib64"
else
export LD_LIBRARY_PATH="/usr/local/cuda/lib"
fi
export PATH="/usr/local/cuda/bin:$PATH"
to your ~/.bash_profile. If the libcudart.so file is installed in a non-standard folder, please replace the paths in the above scripts to your installation path where libcudart.so resides.
Then, you can simply start mcx by running the executable located at <mcx>/bin/mcx.
To list all supported options, you just type mcx without any parameters, it will print the help information.
If you are used to graphics interfaces, you can find an executable mcxstudio under the same folder as mcx. MCX Studio is a cross-platform interface to interact with MCX. It gives users a straightforward way to set various of parameters for a MCX session, and organize different sessions into projects that can be saved for later use. Please read README to see how to use this tool to create, run and save the simulation sessions.
sudo apt-get install build-essentialand then type your own password
su -c yum groupinstall "Development Tools"and then type root password
For Windows, one need to add the path to nvcc (by default, C:\CUDA\bin), path to cl.exe (by default, C:\Program Files\Microsoft Visual Studio 8\VC\bin) and path to g++/make (by default, C:\MinGW\bin) to your Path environment variable. You can follow the screenshots as in this tutorial, and paste the following string at the beginning of the variable value field.
C:\Program Files\Microsoft Visual Studio 8\VC\bin;C:\MinGW\bin;C:\CUDA\bin;
If you have installed VC2008, you need to replace "Microsoft Visual Studio 8" to "Microsoft Visual Studio 9".
If you have installed CUDA, MSVC or MinGW at a non-standard location, please open the Makefile under <mcx>/src to update all the library/include directories to the actual path.
For Windows, you need to double click on a shortcut named "MSYS", a terminal will pop up. Then type "cd /path/to/your/mcx/src", then type "make". The binary will be generated as <mcx>/bin/mcx.exe.