The programming language Python (3.6/2.7) is available for SQUID.
How to use
environmental setting
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You need to set up the environment using "environment modules". Please note that the procedure is different for Python 3 and Python 2.
for General purpose CPU nodes
Python3.6
$ module load BasePy
$ python3
Python3.8
$ module load BasePy
$ module --force switch python3/3.6 python3/3.8
$ python3
Python2
$ module load BasePy
$ module load python2/2.7
$ python2
for GPU nodes
Python3
$ module load BasePy
$ module --force switch python3/3.6 python3/3.6.GPU
$ module load BaseGCC
$ module load cuda
$ module load cudnn
Install Package
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Any package can be installed on the front-end node of SQUID. Since connection to the outside world is prohibited from the computation node, please install the packages necessary for the calculation on the front-end node beforehand.
To install the package, please create a virtual environment with venv and use the pip command.
The following is the procedure to create a virtual environment "test-env" and install "numpy".
Create a virtual environment "test-env".
$ python3 -m venv /sqfs/work/[group name]/[user name]/test-env/
activate "test-env".
$ source /sqfs/work/[group name]/[user name]
/test-env/bin/activate
install package "numpy"
$ pip install numpy
Collecting numpy
Downloading numpy-1.20.3-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (15.4 MB)
|????????????????????????????????| 15.4 MB 8.7 MB/s
Installing collected packages: numpy
Successfully installed numpy-1.20.3
Displays the installed packages
$ pip freeze
numpy==1.20.3
