aspuru-list July 2007

aspuru-list@lists.fas.harvard.edu

12 participants
19 discussions

[Aspuru-Guzik group list] Landau-Lifshitz vol 3. or LZ-transitions

by Jacob D. Biamonte

Dear group, I am doing some calculations related to dynamics and need to find a copy of Landau-Lifshitz vol 3. Other than that, a book that describes Landau-Zeener transitions would be very helpful... Sincerely and thanks, jake-

16 years, 9 months

[Aspuru-Guzik group list] Tequila quantum computer simulator

by Jacob D. Biamonte

Dear Group: Can anyone direct me to a wiki page, or help me get stated with Tequla? Thanks! jake-

16 years, 9 months

[Aspuru-Guzik group list] Fwd: Fw: Cell/B.E. Workshop in Waltham

by Alan Aspuru-Guzik

If anybody is interested in the Oct 11 workshop, let me know. I think if you are interested in learning multi-core programming, it is a good experience. Alan ---------- Forwarded message ---------- From: Jerry Lotto <lotto(a)chemistry.harvard.edu> Date: Jul 12, 2007 10:52 AM Subject: Fwd: Fw: Cell/B.E. Workshop in Waltham To: aspuru(a)chemistry.harvard.edu Cell Broadband Engine Architecture workshop Need multicore performance? Want to learn a new and emerging technology and be an early evaluator? Join us for two days of technical training and explore the details of Cell Broadband Engine (CBE) programming with hands-on exercises. This workshop is for developers with advanced C and C++ skills who would like to experiment with the new CBE technology. It provides a comprehensive technical overview of the cell architecture, programming models, software development environment, cell-based blade server architecture and IBM offerings. The Cell Broadband Engine Architecture has been designed to support a wide range of applications including digital media, entertainment, communications, medical imaging, security and surveillance, and HPC workloads. The first implementation, the CBE processor, is a single-chip multiprocessor with nine processor elements operating on a shared, coherent memory. Each CBE comprises a power processor element (PPE) and eight synergistic processor elements (SPEs). The PPE contains a 64-bit Power Architecture core called PPU or PX, and it can run 32-bit and 64-bit operating systems and applications. It also manages system resources and SPE threads. It supports both the PowerPC instruction set and the Vector/SIMD Multimedia Extension instruction set. The SPEs are independent processor elements which are optimized for running SIMD applications. To an application programmer, the CBE processor looks like a 9-way coherent multicore. The PPE is used for control-intensive tasks and task switching while the SPEs are more adept at compute-intensive tasks and slower than the PPE at task switching. This specialization and the ability to join strength to work harmoniously yield a significant peak computational performance and chip-area-and-power efficiency that the CBE processor achieves over conventional PC processors. What you will discover by attending this workshop Cell multicore architecture Cell programming models Cell-based blade server Cell standards like the application binary interface specifications, language extensions (SPE C, C++) and SPE assembly language specification Cell software development environment How to develop and build cell programs How to apply various programming techniques to exploit cell features Highlights Cell microprocessor architecture including the PPE, SPE, memory flow controller, element interconnect bus, resource allocation management, I/O and memory interfaces Cell programming models and software design methodology including the PPE programming models, SPE programming models, parallel programming models, and multitasking SPEs Cell software development environment, development tools and system simulator Installing and using the cell software development kit Writing, compiling and executing cell programs Using the cell full system simulator, systemsim, to examine cell internals and your program execution statistics Cell sample workloads and application affinity Prerequisites Good technical understanding of computer architecture and programming practices Familiarity with Power Architecture is helpful, but not required Familiarity with C Enroll at https://www-304.ibm.com/jct09002c/isv/spc/events/cbea.html Select the desired date and location, then click the link next to enroll. There is no charge to attend this workshop. 19-20 Jul 2007, Shanghai, China 07-08 Aug 2007, Chicago, Illinois 14-15 Aug 2007, San Mateo, California 06-07 Sep 2007, Shanghai, China 18-19 Sep 2007, Moscow, Russia 18-19 Sep 2007, Toronto, Canada 10-11 Oct 2007, Waltham, Massachusetts 13-14 Nov 2007, San Mateo, California 27-28 Nov 2007, Shanghai, China ______________________________ Bruce A. Foster, Ph.D., MBA Medical and Molecular Imaging, Technical Lead IT Solutions Architect Cell/Quasar Ecosystem & Solutions Development IBM Systems and Technology Group Phone: +1 978.649.7208 Mobile: +1 978.877.6269 Tie Line: 769.9599 email: fosterbr(a)us.ibm.com The information contained in this email is confidential IBM information for use by client and affiliates only. This email is intended for the addressee only. If you received this in error, please contact the sender and delete the material from any computer on which it exists. -- Alan Aspuru-Guzik Assistant Professor Department of Chemistry and Chemical Biology 12 Oxford Street Harvard University Cambridge, MA 02138 Tel: (617)384-8188 Group URL: http://aspuru.chem.harvard.edu

16 years, 9 months

[Aspuru-Guzik group list] gibraltar--important

by Sule Atahan

Dear Group, I am remotely running (trying to run) jobs on gibraltar. I was wondering if anyone is using it in windows mode/rebooting ..etc since I keep getting interrupted jobs and failure to connect through ssh. I would appreciate if you are using it and could let me know before hand for reboots, etc. I need to access it asap. Thanks! sule

16 years, 9 months

[Aspuru-Guzik group list] IMPORTANT: ACCESS TO NEW CLUSTER GRANTED.

by Alan Aspuru-Guzik

Dear all, We have access to the new cluster: I will ask our local experts to compile Q-chem on that beast ASAP. In the meantime, at least try to log in and look at the queues. Who volunteers to add this to the WIKI ? See below (e-mail from Mike Ethier) Hi Alan, I have created cluster accounts on our cluster for your users. Below are the passwords and username combinations. The users will be forced to change their password on 1st login. After that, they can re-connect and they should be able to login with the password they have chosen. Users can ssh (v2 only) to portal.cgr.harvard.edu Note the LSF queues of interested are: short: 1 hr job duration, after which jobs are automatically killed. normal: 24hrs duration, after which jobs are automatically killed. long: no limit. Our current set of public applications is installed in /n/app. Please do not run any cpu or memory intensive processes directly on portal, or else they will be killed automatically. If you have further questions, problems, or comments please email support(a)lsdiv.harvard.edu so we can keep track of issues and they don’t get lost. Thanks, Mike -- Alán Aspuru-Guzik Assistant Professor Department of Chemistry and Chemical Biology 12 Oxford Street Harvard University Cambridge, MA 02138 Tel: (617)384-8188 Group URL: http://aspuru.chem.harvard.edu

16 years, 9 months

[Aspuru-Guzik group list] Mathematica 6 for Linux...

by Ivan Kassal

... is here! On my desk, more precisely. First come, first served. Installation instructions: 1. Get CD from me or download from link below (remember to make the installer executable if you do it yourself). 2. Get libstdc++.so.5 through Synaptic if you do not have it already. 3. Run the installer. 4. Contact <mathematica(a)fas.harvard.edu> with your Math-ID and they'll send you a password.

16 years, 9 months

[Aspuru-Guzik group list] Harvard Center for the Environment Newsletter

by Jenny MacGregor

Dear Harvard Center for the Environment Faculty and Friends, The latest Center newsletter is finished and full of news on Center activities, events and Faculty associate achievements. I have attached the newsletter to this email. It is also available, along with past Center newsletters, on the Center website, www.environment.harvard.edu. I hope you are all enjoying your summer. Best Regards, -- Jenny MacGregor Events and Publications Coordinator Harvard University Center for the Environment ph: 617-495-8883

16 years, 10 months

[Aspuru-Guzik group list] Lunch On Tuesday At UNO

by James D Whitfield

Hey Everyone, We have reservations for a free fifty dollar lunch for noon on Tuesday the third of July at UNOs. If you're around come join us. James -- James D Whitfield Aspuru-Guzik Group Department of Chemistry and Chemical Biology Harvard University tel: 301-520-7847

16 years, 10 months

[Aspuru-Guzik group list] Fwd: CCB EMERGENCY CONTACT LIST ~ ASPURU-GUZIK

by Minoo Ardeshiri

Hi all, Please fill out the attached form and return it to me. Thanks, Minoo ---------- Forwarded message ---------- From: Nicole Delbou <delbou(a)chemistry.harvard.edu> Date: Jul 2, 2007 11:15 AM Subject: CCB EMERGENCY CONTACT LIST ~ ASPURU-GUZIK To: aspuru-admin(a)chemistry.harvard.edu Minoo, I am in the process of updating the emergency contact list for CCB. I have attached an excel spreadsheet with the information that I currently have for your group. Please make sure all information is accurate. If there is no information listed under your group, or if a lab member is missing please fill in all relevant fields provided. Please make any changes to the worksheet directly and send back to me. As always this information is strictly confidential. Please have this information back to me by August 1 st. If you have any questions please don't hesitate to give me a call. With Kind Regards, *Nicole Delbou* *Harvard** **University** * *Department of Chemistry and Chemical Biology* *12 Oxford Street* *Cambridge**, **MA** **02138** * *Phone: 617-496-6428* *Fax: 617-496-2541* -- *********************************************** Minoo Ardeshiri, Lab Administrator, Professor Alán Aspuru-Guzik Laboratory, Department of Chemistry and Chemical Biology, 12 Oxford Street, Harvard University Cambridge, MA 02138 Tel: (617) 496-9964 Fax: (617) 496-9411 *********************************************

16 years, 10 months

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aspuru-list July 2007