aspuru-list September 2009

aspuru-list@lists.fas.harvard.edu

28 participants
90 discussions

by Edward Farhi

Dear Quanta We will meet on Tuesday September 8 at 4:00 in 6-310. Our main goals will be to set a time for the term, plan the first few meetings and pick some speakers. I hope to see you on Tuesday. If you do not want to be on this list please let me know. If you would like to add someone let me know. Best, Eddie ::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Edward Farhi Cecil and Ida Green Professor of Physics Director Center for Theoretical Physics Massachusetts Institute of Technology Building 6 Room 300 Cambridge MA 02139 617 253 4871 :::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::

14 years, 7 months

[Aspuru-Guzik group list] Fwd: [Rcops-list] Critical slowdown of Oddyssey.

by Alan Aspuru-Guzik

Alan Aspuru-Guzik (Sent from my mobile phone and might contain typos. Thanks for understanding.) Begin forwarded message: > From: Christopher Walker <cwalker(a)fas.harvard.edu> > Date: September 4, 2009 17:10:38 EDT > To: James Cuff <james_cuff(a)harvard.edu> > Cc: "Suvendra N. Dutta" <suvendra_dutta(a)harvard.edu>, rcops <rcops-list(a)lists.fas.harvard.edu > >, Alan Aspuru-Guzik <aspuru(a)chemistry.harvard.edu>, Roel Sanchez <rsanchez(a)fas.harvard.edu > > > Subject: Re: [Rcops-list] Critical slowdown of Oddyssey. > > > Hi everyone, > > It looks like the problem here was that Q-Chem was using a directory > on /n/Aspuru, a relatively slow filesystem, as scratch space. Roel > changed the scratch directory to /scratch/rsanchez, a faster local > filesystem, and his jobs were much quicker. > > A number of the Aspuru-Guzik group members have QCSCRATCH set to a > directory on the /n/Aspuru/ filesystem -- would you like us to > contact these users and let them know that Q-Chem will run much > faster if they use /scratch instead? > > Best, > Chris > > > On Fri, 4 Sep 2009, James Cuff wrote: > >> >> Hi all, >> >> We have located the problem - the filesystem /n/Aspuru is being >> hammered, this is causing all the qchem.exe codes to hang in I/O >> wait state. Roel, if you could give Chris Walker a call he can >> work with you to migrate your code to another area. As it is right >> now these jobs will never complete. I'm working with Brian to get >> to the bottom of what is wrong with /n/Aspuru also - we think this >> is the smoking gun right now. >> >> Chris can also help get these critical jobs pushed through for you >> - I know you are under the gun for a deadline. The rest of the >> cluster is fine - mainly this one slow filesystem. >> >> Best, >> >> j. >> >> -- >> dr. james cuff, director of research computing & chief technology >> architect >> harvard university - faculty of arts and sciences information >> technology >> rm 135, the science center, one oxford street, cambridge. ma. 02138. >> tel: +1 617 384 7647 | www: http://rc.fas.harvard.edu >> >> ________________________________________ >> From: rcops-list-bounces(a)lists.fas.harvard.edu [rcops-list- >> bounces(a)lists.fas.harvard.edu] On Behalf Of Suvendra Nath Dutta >> [suvendra_dutta(a)harvard.edu] >> Sent: Friday, September 04, 2009 12:36 PM >> To: rcops >> Subject: [Rcops-list] FW: Critical slowdown of Oddyssey. >> >> ------ Forwarded Message >> From: Alan Aspuru-Guzik <aspuru(a)chemistry.harvard.edu> >> Date: Fri, 4 Sep 2009 11:22:39 -0400 >> To: Jerry Lotto <lotto(a)chemistry.harvard.edu>, Suvendra Nath Dutta >> <suvendra_dutta(a)harvard.edu> >> Subject: Critical slowdown of Oddyssey. >> >> Dear Jerry and Suvendra, >> >> You probably are aware, but right now there is a horrible critical >> slowing >> down of Odyssey. Sim[ple single-point quantum chemistry >> calculations that >> take 20 minutes are taking roughly 10 hours. These are the jobs of >> rsanchez. >> Roel confirms that other kinds of jobs (even the GPGPU queue) seem >> to be in >> the same boat. This started to happen within the last 4 days, and is >> affecting the nnin, lsdiv, etc. queues. Any leads on what are the >> reasons >> for that? IO? >> >> In any case, we are worried as we need to finish a set of >> calculations ASAP >> for a paper, and this is throwing us off schedule. >> >> Thank you, >> >> Alan >> >> >> >> >> Alán Aspuru-Guzik | Assistant Professor >> Harvard University | Department of Chemistry and Chemical Biology >> 12 Oxford Street, Room M113 | Cambridge, MA 02138 >> (617)-384-8188 | http://aspuru.chem.harvard.edu >> >> >> >> ------ End of Forwarded Message >> >> _______________________________________________ >> Rcops-list mailing list >> Rcops-list(a)lists.fas.harvard.edu >> http://lists.fas.harvard.edu/mailman/listinfo/rcops-list >> _______________________________________________ >> Rcops-list mailing list >> Rcops-list(a)lists.fas.harvard.edu >> http://lists.fas.harvard.edu/mailman/listinfo/rcops-list >>

14 years, 8 months

[Aspuru-Guzik group list] Cake with beer?

by Anna B. Shin

Group! I ran late and missed my Zipcar reservation! Cake will hopefully be around TGIF - sorry sorry! Sent from my Verizon Wireless BlackBerry

14 years, 8 months

[Aspuru-Guzik group list] 1yr+11days tomorrow

by Anna B. Shin

Dear Group, Yes, that's right! What you've all been waiting for - it's time for the cake that feeds 90-95 people, although we're just 20-25. This time it's mango instead of strawberry. No seeds Leslie! Tomorrow - 2:30ish - kitchen area. Bring your own fork. Anna Anna B. Shin Laboratory Administrator Aspuru-Guzik Research Group Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street Cambridge, MA 02138 617.496.9964 office 617.496.9411 fax 617.694.9879 cell http://aspuru.chem.harvard.edu/

14 years, 8 months

[Aspuru-Guzik group list] Fwd: EFRC-related students

by Alan Aspuru-Guzik

Anybody interested in this? I of course count with Leslie, who else is not directly associated? Alan Alán Aspuru-Guzik | Assistant Professor Harvard University | Department of Chemistry and Chemical Biology 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu ---------- Forwarded message ---------- From: Marc Baldo <baldo(a)mit.edu> Date: Thu, Sep 3, 2009 at 3:03 PM Subject: EFRC-related students To: excitonics-faculty(a)mit.edu Hello everyone, If you have students or postdocs doing relevant research but not funded by the EFRC, please ask them to contact Rita Tavilla (rtavilla(a)rle.mit.edu). We will include them in EFRC events and mailing lists. Thanks, marc

14 years, 8 months

[Aspuru-Guzik group list] HUCE Weekly Calendar Update September 3 - 17

by Center for the Environment

Dear Friends of HUCE, I hope you had a wonderful summer. I am pleased to send you the first installment of this Fall's HUCE Weekly Calendar email. If you are new to this service, welcome! Within this email you will find two week's worth of environmentally related events here on the Harvard campus and in the Boston area. Already, there are some fantastic events on the calendar and I hope you will take full advantage of the many engaging lectures and seminars listed here. Always be sure to check the HUCE calendar on our website, www.environment.harvard.edu, for the most up-to-date listings and complete event descriptions, as venues and times may change. If you would like to submit an event to the calendar, contact Lisa Matthews at the Center for the Environment: lisa_matthews(a)harvard.edu. Feel free to distribute this email to your friends, colleagues, family, and anyone else who may be interested in environmental events around our community. Calendar Listings: Friday 9/4/2009 2:00p China Energy and Environment Seminar (Pierce Hall 100F, 29 Oxford St., Cambridge, MA) "Impacts of Megacities on Air Quality and Climate Change." Zhu Tong, Professor, College of Environmental Science and Engineering, Peking University. Contact: nielsen2(a)fas.harvard.edu 6:00p - 8:00p The Future of International Oil Companies in a Carbon-Constrained World: Preparing for Copenhagen 2009 and Beyond (UK Consulate 1 Memorial Drive (suite 500), Cambridge) Gilles Cochevelou, Total Vice President for R&D Gaz and Alternative Energies, TOTAL. RSVP required. Contact: Blandine Antoine, blandine(a)mit.edu Sunday 9/6/2009 9:00p - 11:00p Planet Earth and Sustainable Sundaes (Student Organization Center at Hilles, 59 Shepard St., Cambridge, MA) Come and enjoy sustainable sundaes made with local ice cream and toppings from vendors at the Harvard Square Farmers Market. Contact: www.hcs.harvard.edu/~eac/?s=default Wednesday 9/9/2009 5:30p Looking Back, Looking Forward: A Conversation with James D. Watson and Edward O. Wilson (Sanders Theatre at Memorial Hall, 45 Quincy St., Cambridge, MA) Harvard Museum of Natural History special lecture. Moderated by Robert Krulwich. (Tickets to this event are sold out.) Contact: www.hmnh.harvard.edu/lectures_and_spe... 6:00p - 7:00p Smart Grid-related Strategies to Achieve Energy Efficiency (E51-335, MIT, Cambridge, MA) Harvey Michaels, Energy Efficiency Scientist and Lecturer Environmental Policy and Planning Program and M.I.T. Energy Initiative (MITEI). Contact: Mahesh Konduru , kondum(a)mit.edu, events.mit.edu/scripts/event_ext.pl?e... Thursday 9/10/2009 4:00p OEB Departmental Seminar (Biological Laboratories Main Lecture Hall, Room 1068, 16 Divinity Avenue, Cambridge, MA) "Simple aspects of growth and form." Professor L. Mahadevan Lola England de Valpine Professor of Applied Mathematics, School of Engineering and Applied Sciences, Harvard University. Contact: Katharine Parodi, kparodi(a)oeb.harvard.edu, 617.495.5891 7:30p Boston Area Solar Energy Association Forum (First Parish Unitarian Church, 3 Church St., Cambridge, MA) "A Global Overview of Action on Climate Change." Professor William Moomaw, Tufts University. Contact: info(a)basea.org, www.basea.org Friday 9/11/2009 7:00p - 9:30p Vault N51: A Low Carbon Masonry Innovation (MIT Museum Building N51 265 Massachusetts Avenue, Cambridge, MA) The MIT museum invites the design community and the general public to celebrate the unveiling of a thin brick vault, constructed by graduate architecture students at MIT. Contact: museuminfo(a)mit.edu, 617.253.5927, web.mit.edu/museum/programs/programde... Tuesday 9/15/2009 6:00p Smart Grid Applications, Standards Development and Recent Deployments (Auditorium at Milas Hall, Olin College, Needham, MA) John McDonald, P.E., General Manager, Marketing of GE Energy T&D. Contact: Ron Tabroff, r.tabroff(a)ieee.org, 978-535-2815, www.ieeeboston.org/power_energy.htm 6:30p Science for the Public (Boston Public Library 700 Boylston Street(Copley Square) Room C-05-06, Johnson Bldg., Boston, MA) "Notes from the Wildlife Hot Zone." Dr. Bryan Windmiller, Ecological Consultant; Founder, Hyla Ecological Services. In recent decades, a wave of enigmatic population crashes and extin... Contact: 617-536-5400, scienceforthepublic.org/index.php?pag... Wednesday 9/16/2009 4:00p - 5:00p Origins of Life Forum (Biological Laboratories Main Lecture Hall, Room 1068, 16 Divinity Avenue, Cambridge, MA) "Information in the Prebiotic World." Irene Chen, FAS Center for Systems Biology, Harvard. Contact: origins.harvard.edu/Origins%20Forum.html 8:00p - 9:00p Enviromental Action Committee Meeting (Spindell Room, Quincy House, 58 Plympton St., Cambridge, MA) Everyone interested in learning about the EAC and/or learning how to help make a difference for the environment is welcome. Contact: www.hcs.harvard.edu/~eac/ Thursday 9/17/2009 4:00p - 5:00p OEB Departmental Seminar (Biological Laboratories Main Lecture Hall, Room 1068, 16 Divinity Avenue, Cambridge, MA) "A new epoch in termite biology." Kenji Matsuura, Graduate School of Environmental Science, Okayama University, Japan. Contact: Katie Parodi, kparodi(a)oeb.harvard.edu, (617) 495-5891 ============================================== You are receiving this email because you indicated interest in Harvard University Center for the Environment events. Unsubscribe aspuru-list(a)lists.fas.harvard.edu from this list: http://harvard.us1.list-manage.com/unsubscribe?u=7532d1fbf18f39219ac742ebe&… Our mailing address is: Harvard University Center for the Environment 24 Oxford St. 3rd floor Cambridge, MA 02138 Our telephone: (617) 495-0368 Forward this email to a friend: http://us1.forward-to-friend.com/forward?u=7532d1fbf18f39219ac742ebe&id=844… Update your profile: http://harvard.us1.list-manage.com/profile?u=7532d1fbf18f39219ac742ebe&id=5…

14 years, 8 months

[Aspuru-Guzik group list] GPGPU queue policy.

by Alan Aspuru-Guzik

Dear group, I had approved for some of you to send calculations to the GPGPU queue when the clustre was idle and did not need GPGPU jobs. Now, we need to clear the cluster of jobs, because Roberto needs to run some things. I think we need to ask the people at FAS to have a "backfill" low priority job queue that immediately is KILLED whenever a gpgpu job is sent. I think that would work. If one wants to run a non-GPGPU job, one should be able, as to fill the cluster, but having no guarantees of completion. What do you think? In the meantime, Sigi or whoever is running, please terminate your GPGPU jobs, as Roberto and company need to use the cluster for graphics cards. (I know I told you to backfill, but it is not working as it is interrupting the GPU research). Thank you, Alan Alán Aspuru-Guzik | Assistant Professor Harvard University | Department of Chemistry and Chemical Biology 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu

14 years, 8 months

[Aspuru-Guzik group list] Fwd: Call for Papers: JPC Letters

by Alan Aspuru-Guzik

Alán Aspuru-Guzik | Assistant Professor Harvard University | Department of Chemistry and Chemical Biology 12 Oxford Street, Room M113 | Cambridge, MA 02138 (617)-384-8188 | http://aspuru.chem.harvard.edu ---------- Forwarded message ---------- From: ACS Publications <marketing(a)acs.org> Date: Wed, Sep 2, 2009 at 4:55 PM Subject: Call for Papers: JPC Letters To: aspuru(a)chemistry.harvard.edu Accepting submissions beginning September 21, 2009 Dear *JPC* Author: We would like to encourage you to contribute a leading-edge manuscript to an early issue of the *Journal of Physical Chemistry Letters (JPC Letters)*. As you probably know, the *Journal of Physical Chemistry (JPC)* will reorganize beginning in 2010 with the introduction of *JPC Letters*. *JPC Letters* will be an all-letters format journal, encompassing all areas covered by *JPC A, B,* and *C*, and will replace the current letters that appear in *JPC A, B*and *C*. By restructuring our offices such that *JPC Letters* has a separate set of editors and editorial staff dedicated solely to letters and by moving to an online-only format, we will reduce publication times below what has been possible in the past. Providing an all-letters format journal will also increase the visibility of letters-type articles and provide a condensed forum in which readers can more easily view the most cutting-edge research across all areas of physical chemistry and chemical physics. *Letters citable as soon as published on the web* We are pleased to announce that letters published in the *Journal of Physical Chemistry Letters* will include page numbers to enable full and immediate citing when posted on the web as ASAP articles – prior to being collected in an issue. This means that authors can get their urgent research findings cited at least two weeks faster than ever possible before. We will begin processing new manuscripts for *JPC Letters **September 21, 2009*, and the first papers will appear in the *JPC Letters *web site in late November. Prashant Kamat will be Deputy Editor in charge of *JPC Letters*, and the letters will all be processed through his office. Tim Zwier and Sharon Hammes-Schiffer will be Senior Editors who, along with Prashant, handle letters manuscripts. More information about *JPC Letters *can be found at www.pubs.acs.org/JPCL Thank you for your contributions to *JPC*. We look forward to receiving your manuscripts for *JPC Letters*. George and Prashant George C. Schatz Morrison Professor of Chemistry and Professor of Chemical and Biological Engineering Northwestern University Editor-in-Chief,* Journal of Physical Chemistry Letters* Prashant V. Kamat Professor of Chemistry & Biochemistry University of Notre Dame Deputy Editor, * Journal of Physical Chemistry Letters* <http://pubs.acs.org> 1155 16th Street, NW Washington, DC 20036 ------------------------------ You are receiving this message as a *JPC* author with the e-mail address * aspuru(a)chemistry.harvard.edu*. To unsubscribe send a blank email to * purge-jpc_letters_call_for_papers_authors_0909-384128517399994d9f51fbe2a348818be67e02f(a)listmanager1.acs.org *<purge-jpc_letters_call_for_papers_authors_0909-384128517399994d9f51fbe2a348818be67e02f(a)listmanager1.acs.org>

14 years, 8 months

[Aspuru-Guzik group list] Fwd: First Fieser Lecture

by Leslie Vogt

>From the GPC Board: Please join us for the first Fieser lecture of the academic year: Yevgeny Brudno Liu Research Group "A System for the Iterative Selection of Functional Peptide Nucleic Acids" Tuesday, September 8, 2009 4:00 p.m. Pfizer Lecture Hall Lower Level, Mallinckrodt Pizza and beverages to follow. (There is a temporary problem with the mass email lists. It would really help our attendance if you could forward this message to your groups!) -Darren on behalf of the GPC

14 years, 8 months

[Aspuru-Guzik group list] Fwd: Posters on doors - Open Houses

by Anna B. Shin

Dear Group, FYI, our Open House is scheduled on Thu 12 Nov. Anna Anna B. Shin Laboratory Administrator Aspuru-Guzik Research Group Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street Cambridge, MA 02138 617.496.9964 office 617.496.9411 fax 617.694.9879 cell http://aspuru.chem.harvard.edu/ ---------- Forwarded message ---------- From: Tony Shaw <shaw(a)chemistry.harvard.edu> Date: Tue, Sep 1, 2009 at 5:00 PM Subject: Posters on doors - Open Houses To: faculty_staff(a)chemistry.harvard.edu Cc: staff(a)chemistry.harvard.edu To CCB Lab Administrators, Once again, I am going out with my annual (pre-Open House) plea that you ask the individuals who are putting up the various (and wonderfully creative!) flyers/posters, etc. to PLEASE use the bulletin boards and not the doors and door windows!! With all the construction continuing in Bauer and Fairchild, the Cambridge Fire Dept. is here frequently on inspections and the door and window posters easily catch their eyes. John Randazzo has once again graciously offered to put posters into the mail boxes of our 25 new G1s if they are given to him! And I have asked the Facilities folks to remove posters which are on inappropriate venues. In advance, thanks for your cooperation! Best, Tony Anthony R. Shaw, Jr. Director of Laboratories Co-Director of Graduate Studies Department of Chemistry & Chemical Biology (CCB) Harvard University 12 Oxford St. Cambridge, MA 02138 617-495-4283 (office) 617-496-5618 (fax) shaw(a)chemistry.harvard.edu http://www.chem.harvard.edu/admin/tony_shaw.php

14 years, 8 months

2024

2023

2022

2021

2020

2019

2018

2017

2016

2015

2014

2013

2012

2011

2010

2009

2008

2007

2006

aspuru-list September 2009