ymatsunaga/docker-genesis

Docker image for genesis

Molecular dynamics software GENESIS is ready for use within docker

Usage

docker run --rm -v $(pwd):/work ymatsunaga/genesis mpirun -np 8 spdyn run.inp

If permissions become a problem, please add the following options

docker run --user root -e NB_UID=$(id -u $USER) -e NB_GID=$(id -g $USER) --rm -v $(pwd):/work ymatsunaga/genesis mpirun -np 8 spdyn run.inp