Toolkit Release 0.3

Projected release date: 02-31-2014

Objectives

Performance metrics, tests and scaling-up science use-cases. Paper writing.

General Tasks

Primarily responsible: Ole

Task	Assigned	Status
Document simple performance testing framework / procedure	Ole	x
Provide template for EnMD-based command-line tools	Ole	x

Patterns

Pipeline

Primarily responsible: Ole

Task	Assigned	Status
Add test cases for all methods / placeholders, etc.	Ole	x
Implement performance tests / collect test results	Ole	x
Write paper section about pattern	Ole	x

Simulation-Analysis-Loop

Primarily responsible: Vivek

Task	Assigned	Status
Add test cases for all methods / placeholders, etc.	Vivek	x
Implement performance tests / collect test results	Vivek	x
Write paper section about pattern	Vivek	x
Write tool to replace extasy cmd-line tool using cmd-line tool framework	Vivek	x

All-Pairs

Primarily responsible: Giannis

Task	Assigned	Status
Add test cases for all methods / placeholders, etc.	Giannis	x
Implement performance tests / collect test results	Giannis	x
Write paper section about pattern	Giannis	x

Replica-Exchange

Primarily responsible: Antons

Task	Assigned	Status
Add test cases for all methods / placeholders, etc.	Antons	x
Implement performance tests / collect test results	Antons	x
Write paper section about pattern	Antons	x
Write tools to replace CDI cmd-line tool using cmd-line tool framework	Antons	x

Application Kernels

Primarily responsible: Ole

Task	Assigned	Status
Implement tool-level abstraction for AMBER	Ole	x
Implement tool-level abstraction for GROMACS	Ole	x
Write paper section about Kernels	Ole	x

Documentation

Primarily responsible: Ole

Task	Assigned	Status

Dissemination / Integration

Primarily responsible: Shantenu

Task	Assigned	Status
Deliver EnMD Tutorial (scope?)	All	x