Public | Automated Build

Last pushed: a year ago
Short Description
Docker to run disvi application, includes oneclient to use OneData Data Management framework
Full Description


docker-disvis

Dockerfile to run disvis on CPUs or GPUs

It depends/installs as well the oneclient in order to use oneprovider

Introduction

The image is built from the ansible-role of the following github repository:

Dependencies: Base image

The base image is now one that has the nvidia driver.

The NVIDIA driver version of the image has to match the one on the physical
machine. The ansible-role repository shows the version with which the current
image is built. The details maybe found in:

The ansible-role has a variable which is the NVDIDIA driver, as such if you
have a different version you will have to can run the ansible-role specifying
the correct version.

The NVIDIA driver version is tagged in the docker image as follows

  • TAG = nvdrv_352.93 : nvidia driver version 352.93
  • TAG = nvdrv_352.99 : nvidia driver version 352.99

Build docker image

The image can be built with

docker build -t disvis-oneclient .

Or you can pull it from the dockerhub:

docker pull indigodatacloudapps/disvis-oneclient

Run docker-disvis

The docker containes the opencl application hosted in:

Read section "Options" for examples to run the application.
The example below uses the files

  • O14250.pdb
  • Q9UT97.pdb
  • restraints.dat

To run the disvis in CPUs, you can instantiate the container:

$ docker run -it indigodatacloudapps/disvis-oneclient /bin/bash
# cd /home
# mkdir out
# export LD_LIBRARY_PATH=/usr/lib/x86_64-linux-gnu:/usr/local/lib64
# export EX_DIR=/usr/local/disvis/test-cases/PRE5-PUP2-complex
# disvis ${EX_DIR}/O14250.pdb ${EX_DIR}/Q9UT97.pdb ${EX_DIR}/restraints.dat -p 2 -a 20.0 -vs 2 -d /home/out

To run the disvis in GPU, you can instantiate the container and import the
NVIDIA devices:

$ docker run \
    --device=/dev/nvidia0:/dev/nvidia0 \
    --device=/dev/nvidiactl:/dev/nvidiactl \
    --device=/dev/nvidia-uvm:/dev/nvidia-uvm \
    -it \
    indigodatacloudapps/disvis-oneclient /bin/bash
# cd /home
# mkdir out
# export LD_LIBRARY_PATH=/usr/lib/x86_64-linux-gnu:/usr/local/lib64
# export EX_DIR=/usr/local/disvis/test-cases/PRE5-PUP2-complex
# disvis ${EX_DIR}/O14250.pdb ${EX_DIR}/Q9UT97.pdb ${EX_DIR}/restraints.dat -g -a 20.0 -vs 2 -d /home/out

License

Apache v2

Author Information

Mario David: mariojmdavid@gmail.com
LIP and Indigo-DataCloud project

Acknowledgments

Docker Pull Command
Owner
indigodatacloudapps