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Notice Board (last updated: 29th June 2020) contact us

Rules on who can and how to join the MCC - Info for how members can get an account

Allocations: The new tighter constraints imposed on HEC consortia during phase 2 (cf phase 1) of total usage on ARCHER has resulted in a modified timetable of MCC meetings, and therefore lengths over which individual projects should run. Importantly, our total usage should be at a constant rate - trying to spend more near end of allocation periods (31 January and 31 July, as well as those determined by us) is not good practice. Any individual budget deemed to be underused, and therefore likely to have time unspent at the end of any of these allocation periods, may be reduced in order to maximise the benefit of ARCHER to our community. Likewise, time allocation periods on THOMAS is outside of our control; so the same rules apply here accept that allocation periods change on the first Sunday/Monday of Feb, May, Aug, and Nov and typically only half of a six-month proposal will be allocated in any one three month period. I will be especially critical (and proactive) if MCC's total spend on either ARCHER or THOMAS is below that expected.

Last General meeting: 11:30-16:30, 6th January, 2020 - Chemistry Auditorium, Christopher Ingold Building, UCL (Chemistry), London WC1H 0AJ (Agenda)
Next (Virtual) General Meeting: Tuesday 28th July. Details and format of which will be confirmed later. (Committee meeting will take place on Friday 24th July, after which we intend to email any queries raised to individuals concerned before the start of the main meeting with the aim of addressing all queries by the end of July).

Applications from full MCC members for HEC resources for the period: 1st August 2020 to 31st January 2021 (please assume ARCHER and THOMAS are available during this period and that we have the same allocation for the next six month period to distribute as compared with the current and previous six month allocation periods; when ARCHER2 and YOUNG become available we will announce how we will transfer current budgets and how we will allocate any additional budget).

Call opens: 1st July 2020
Call ends: 1pm Monday 6th July 2020

Proposals should use the standard template and be sent to me and Alexey with one completed group summary form (see Applications for national HPC time). If submitting more than one proposal within a theme, please concatenate the proposals in that theme into one document so that the proposal requesting the most time resources starts on the first page, followed, on a new page, by the next most time resource request, etc. Within the group summary form, your group members requiring access to any time allocated must be listed in the table as I will be removing all connections at the end of this current period. Recent publications, qualifications and destinations of your group (which/whom benefited from access to ARCHER) are NOT required in this form but should be added to our google form. The information for the google forms is no longer required on the proposals nor on the group summary form, but is very important this information is up-to-date as we need to compete an annual report to EPSRC in January and also this information is used in our completion of Researchfish. To help in this endeavour we also require an annual summary per theme from each group by the end of October using this template.

A call for Interim Proposals may occur if we receive an increase in awarded time as a result of ARCHER2 (I will email group leaders any updates).

Acknowledgements: When publishing work that benefited from resources allocated by the MCC: please include the following acknowledgment 'Via our membership of the UK's HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202, EP/R029431), this work used the ' followed by the appropriate acknowledgement for ARCHER, THOMAS, or indeed both. For example, 'ARCHER UK National Supercomputing Service (http://www.archer.ac.uk).' for ARCHER and 'the UK Materials and Molecular Modelling Hub for computational resources, MMM Hub, which is partially funded by EPSRC (EP/P020194)' for THOMAS.

If space is limited, please ensure the name of the HEC platform, the phrase "Materials Chemistry Consortium" and *most importantly* any relevant EPSRC grant numbers (e.g. EP/R029431) is acknowledged.

For posters and talks, please include our logo.

All published work supported by CoSeC (software support of DL_POLY, ChemShell, Crystal, for example) should carry the following acknowledgment: 'This work made use of computational support by CoSeC, the Computational Science Centre for Research Communities, which was made available through our membership of the MCC HEC'. You may want to add any relevant CCP, or example' and CCP5'

When searching the literature, older work may include references to "HECToR" and "HPCx resources" and refer to funding by EPSRC with grant references of either EP/D504872 or EP/F067496.

Materials Chemistry Conference Our fourth conference was planned for April (15th-17th), but will now, COVID-19 permitting, be held in Daresbury from Wednesday lunch 9th September - Friday 11th September 2020. We may delay the start on the Wednesday (and push back the DL_POLY discussion) given both CCP5 and MMM Hub meetings overlap on the Wednesday. Given the delay of the start of ARCHER2, we now plan a virtual MCC allocation meeting at the end of July (as opposed to delaying our allocation meeting until September).


Themed and Special Issues of MCC work: We have periodically organised a special issue of a high quality journal in order to help showcase the quality and board range of research undertaken by members, which required the use of HEC resources. Hyperlinks to these are given below on the right hand side under links to a list of our publications. A big thank you to all members who submitted manuscript(s) to these special issues.

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Resources Documents (restricted access) Agenda July 28 2020, 10:00-15:30 Example agendas: July 18 Dec 16 July 16 July 15 July 14 Apr 14 May 13 Oct 11 Nov 10 May 10 Dec 03 How members can get an account on ARCHER or THOMAS

MCC Outputs ARCHER (2013-18) Hector (2007-13) HPCx (2003-06) CSAR (2000-03) Destinations Presentations (2007-2013) An alternative photographic insight

Publications 2015-20 and Pre-2015 Special/Themed Issues PCCP 16 2014 Roy Proc A July 2011 Overview Contents J Mat Chem 16 20 2006 Overview Contents (1.6Mb)