Cerise specialisation for MDStudio and GT GPU nodes

This repository contains a Cerise specialisation for MDStudio and the VU GT cluster.

It's work in progress.

Running

Install the service via Docker

Get the specialised service from Docker:

docker pull mdstudio/cerise-mdstudio-gt-gpu

Once installed, the service can be used from cerise-client or lie_md.

Legal Notes

This repository is covered by the following license grant:

Copyright 2018 Netherlands eScience Center and VU University Amsterdam

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at

   http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.