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Notice Board (last updated: 25th July 2021) 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 ARCHER2 to our community. Likewise, time allocation periods on YOUNG is outside of our control; so the same rules apply here accept that allocation periods change end the end of March, June, Sept, and Dec and pro-rata gold will be allocated in each time period. I will be especially critical (and proactive) if MCC's total spend on either ARCHER2 or YOUNG is below that expected.

Last Face-to-Face meeting: 11:30-16:30, 6th January, 2020 - Chemistry Auditorium, Christopher Ingold Building, UCL (Chemistry), London WC1H 0AJ (Agenda)
Last (Virtual) General Meeting: Monday 25th January, which followed the MCC Committee Meeting that was held on Friday 15th January.

Next (Virtual) General Meeting: Tuesday 13th July. The format of this meeting will follow a similar format to that used in January, and more details will be confirmed later. (Committee meeting will take place on Friday 9th 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 2021 to 31st January 2022 (please assume ARCHER2 and YOUNG 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; we may run an interim call once the full cabinet system for ARCHER2 becomes available). Note that there is currently a cap on the total request made from each group (see details on email that went out to members).

Call opens: 1st June 2021
Call ends: midday Thursday 1st July 2021

Proposals should use the standard template and be sent to klmc.mcc@ucl.ac.uk 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 ARCHER2/YOUNG) 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, where additional information and instructions can also be found.

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/R029431), this work used the ' followed by the appropriate acknowledgement for ARCHER2, THOMAS, or YOUNG. For example, 'ARCHER2 UK National Supercomputing Service (http://www.archer2.ac.uk).' for ARCHER2, 'the UK Materials and Molecular Modelling Hub for computational resources, MMM Hub, which is partially funded by EPSRC (EP/P020194)' for THOMAS, and 'the UK Materials and Molecular Modelling Hub for computational resources, MMM Hub, which is partially funded by EPSRC (EP/T022213)' for YOUNG.

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 in 2021.


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 13 2021, 10:30-15:00 Example agendas: Agenda January 25 2021, 10:00-15:30 July 20 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)