-
Notifications
You must be signed in to change notification settings - Fork 1
Home
This guide is for Purdue HPCs to compile Stanford Stratified Structure Solver (S4) without root access. I have used nodes of Brown and Snyder and in both of them I could compile the code and run it with Anaconda Python. Please follow the steps below to compile:
- Clone the git repository
git clone github.com/sajidmc/S4
- Load correct version of python (3 or above). Check your version with the command:
python --version
(For Purdue's clusters, the default python version is 2 and you have to use the following code to load 3.0. Consult with your IT department to get specific commands.
module spider anaconda
module load anaconda/5.1.0-py36
)
-
Edit the MakefileHPC and make sure all the library paths are correct.
MKL_HOME
andMPI_HOME
must point to the actual path of the libraries.mpiexec --test
gives you an error message with the path of the library. -
Compile the library
- If compiled correctly, the linker will create a so file in build/lib.library_version folder. Find out the name of the created file and check if libraries are linked correctly.
ldd
command gives you the list of the paths:
ls build
ldd build/lib.linux-x86_64-3.6/S4.cpython-36m-x86_64-linux-gnu.so
- Create symbolic link to library. (Check the name of the file with ls first)
ln -s build/lib.linux-x86_64-3.6/S4.cpython-36m-x86_64-linux-gnu.so S4.so
- Run the example script:
python PythonTest.py
It should give you the following output (you need to have X11 forwarding enabled for your console):