The Extreme-scale Scientific Software Stack (E4S)

Container installation recipes


To use the Docker image, please install docker and pull the appropraite image from Docker Hub.

# docker images
# docker pull ecpe4s/e4s-gpu:22.02
# docker run --gpus all -v $HOME:$HOME --rm -it ecpe4s/e4s-gpu:22.02
Inside the Docker container:
# which spack
# cd /opt/demo/python_tests
# conda activate cuda
# ./
# cd /opt/demo/testsuite/validation_tests/trilinos
# ./
# ./


# which singularity
# wget
# singularity exec ./ecp.simg /bin/bash --rcfile /etc/bash.bashrc
# which spack

Replacing MPI On Theta at ALCF: Allocate two nodes:

% qsub -A <PROJECT_ID> -t 30 -n 2  -q debug-cache-quad  -I
% /projects/ECP_SDK/tutorial/
% cat /projects/ECP_SDK/tutorial/
module swap PrgEnv-intel PrgEnv-gnu
module swap cray-mpich cray-mpich-abi
export SINGULARITYENV_LIBWLM_DETECT=/opt/cray/wlm_detect/1.3.2-
aprun -n 16 -N 8 singularity exec -H $HOME    -B /projects/ECP_SDK:/projects/ECP_SDK:ro -B /opt:/opt:ro -B /var/opt:/var/opt:ro /projects/ECP_SDK/containers/singularity/ecp.simg bash -c 'unset CRAYPE_VERSION; source /usr/local/packages/ecp/misc/bashrc; spack load -r trilinos tau ;spack unload openmpi mpich ;  export LD_LIBRARY_PATH=$LIBWLM_DETECT:$CRAY_LD_LIBRARY_PATH:$CRAYPAT_LD_LIBRARY_PATH:$LD_LIBRARY_PATH   ; /projects/ECP_SDK/tutorial/demo/trilinos/Zoltan/Zoltan; '


Replacing MPI with system MPI on Cori at NERSC:

# shifterimg -v pull docker:ecpe4s/e4s-gpu:22.02
# shifter -E --image=ecpe4s/e4s-gpu:22.02 -- /bin/bash --rcfile /etc/bash.bashrc
# which spack

# shifterimg images | grep exascaleproject

# salloc -N 2 -q interactive -t 00:30:00 --image=ecpe4s/e4s-gpu:22.02 -C haswell -L SCRATCH
# srun -n 32 shifter  -- /bin/bash  -c 'unset CRAYPE_VERSION;  . /etc/bash.bashrc ; spack load trilinos; spack unload openmpi mpich; ./Zoltan'

Please contact Sameer Shende at sameer [at] if you have any questions.