CMMST-XSEDE-EGI

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Computational Chemistry XSEDE-EGI use case

Contents



Introduction

EGI and XSEDE are e-infrastructures, providing access to high throughput computing (HTC) and high-performance computing (HPC) resources and services to the research community in Europe and the US, respectively. This page provides an overview and update abut the implementation of the use case application that have been submitted from the computational chemistry domain to the joint call of EGI and XSEDE. The computational chemistry application outlined in the proposal aims to "perform a feasibility study on running HTPC skeletons by exploiting the two infrastructures...For this purpose we propose a set of use cases that provide real life requirements to this activity.".

The activities described on this page are part of the broader EGI-XSEDE collaboration.

People involved

Meetings

Progress

Decisions from first teleconference:


TODO - outcome from f2f meeting at XSEDE13:

1. Submit a resource allocation request to XSEDE site(s): https://www.xsede.org/web/xup/submit-request

2. After the allocation is granted, the XSEDE site should join the Compchem VO (through Compchem VOMS)

3. Extend GriF to bridge EGI and XSEDE

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