Quantum Computing at the NASA Langley

NASA is planning to hold a workshop on quantum computing at the NASA Langley Research Center on November 7-8, 2017. The purpose of the workshop is to bring together experts on quantum computing to understand the latest developments and current and future challenges in algorithms and hardware. The workshop will aim to accelerate technology transition towards outstanding aeronautics problems that might benefit from quantum computations in next 10-15 years. The workshop’s goals include developing a roadmap for success towards solution strate­gies for engineering applications. More details are given at the weblink: http://Wewww.nianet.org/QuantumComputing/

Daniel Lambrecht: Course Transformation Award for Math Education for Chemistry

Congratulations to Professor Daniel Lambrecht who received the Discipline-Based Science Research Center’s (dB-SERC) Course Transformation Award. These awards are given to faculty members who seek to improve student learning outcomes by adopting evidence-based teaching practices. Dr. Lambrecht will be developing Process Oriented Guided Inquiry Learning (POGIL) activities to improve physical chemistry student’s understanding of the underlying mathematics used in the course. Throughout the course, students will break down realistic chemistry problems into manageable computer-based models, solve the models using the advanced research computers hosted by our center, validate and explore limitations in the models, and interpret the results. Dr. Lambrecht expects the class to be more engaging and enhance learning outcomes for students in their education path and future careers. The Center for Research Computing (CRC) is proud to offer Dr. Lambrecht a teaching allocation and access to our new Jupyter notebook server.


For more information about dB-SERC visit http://www.dbserc.pitt.edu. If you are interesting in teaching allocations or the Jupyter notebook server please contact CRC using https://crc.pitt.edu/contact

Hurry up and register for our workshops!


Dear students, faculty and staff,

Welcome all new and returning students, faculty, and staff to start a productive semester. We are excited to remind you about our Fall 2017 series of workshops. If you haven’t registered yet, please try to do so via http://core.sam.pitt.edu/Registration_Fall2017_Tutorial

In our upcoming workshop on Cluster Training on Wednesday 9/13, we will answer the following questions:

  • What hardware is available at Pitt?
  • How can we help your computational workflow?
  • How to access?
  • How to submit jobs?

In the meantime, please take a look at our Spring 2017 presentation on Cluster Training at https://crc.pitt.edu/workshops/. There is no pre-requirement for the workshop but if you don’t know anything about Linux environment, please take a look at the crc-cluster-usage presentation in Spring-2017-workshop folder. You can catch up by following the instructions from page 8 to 13 of the presentation.



CRC Team

CRC Fall 2017 Tutorial Announcement

Dear Users,

We are announcing our Fall 2017 CRC Workshops. First, the schedule:

  1. Wednesday 9/13 (1pm – 4pm): CRC Cluster Usage
  2. Wednesday 10/11 (1pm – 4pm): Linux for HPC
  3. Wednesday 11/8 (1pm – 4pm): Python Programming
  4. Wednesday 12/6 (1pm – 4pm): R Programming

First workshop will be located in 266 Chevron Computer Lab, Ashe Annex Balcony. We will announce the location for the other three workshops in the future.


If you need a SaM account apply for one at http://core.sam.pitt.edu/apply. Otherwise please register at http://core.sam.pitt.edu/Registration_Fall2017_Tutorial

Thank you,

CRC Team

Workshop on FreeFEM

The Department of Mathematics of the University of Pittsburgh will be hosting a workshop on FreeFEM++ given by Professor Frederic Hecht:
What: An Introduction to Scientific Computing using Free Software FreeFem++
Description of the workshop from Professor Hecht:
“I would like it to be possible to solve digitally, in a user-friendly way, the problems modeled by partial differential equations (PDEs) from physics, engineering, computing graphics and recently from the finance-banking sector. This problem is therefore at the interface between applied mathematics, numerical analysis, computer science and the relevant applications (fluid mechanics, electromagnetism, quantum mechanics and stock options in finance).”
Where: Thackery hall Room 427
When: August 22, 2017 (All day) – September 1, 2017 (All day)
Who: Everyone is welcome. However, the current room is not large. It would be helpful to email us (wjl@pitt.edu or Trenchea@pitt.edu) if you plan to attend so we can estimate audience size and adjust if necessary.

For more information and the detailed schedule, please visit: http://www.mathematics.pitt.edu/node/2052

Updates to H2P: Partition Changes After Testing Phase

Dear H2P Users,

The testing period for the new nodes was a success! We need to shuffle around some of the nodes in smp to accommodate the new nodes. The partitions will become:

Old NameNew NameCharging Rate
testsmp (default)0.8

We will be draining all of the nodes and moving them into new partitions. Running jobs will not be affected. Any jobs which are submitted to the test partition will need to be resubmitted. Sorry for any inconvenience.


The CRC Team


Job Opportunity for Undergrads at CRC

Center for Research Computing (CRC) at Pitt is seeking two undergraduate candidates for operations support positions in the area of user management and support at the center. The position will work closely with CRC staff.

Essential functions of this position:
Address user tickets in consultation with center staff
Assist CRC staff in routine activities
Address bugs and problems with technical systems from time to time
Analyze user experience and propose and develop improvements

Required skills and experience: Familiarity with a Linux based working environment. Strong verbal and written communication skills.

Start date: ASAP

Compensation: $10/hour

If you are interested, please email your CV to https://crc.pitt.edu/contact/


Thank you,

CRC Team

New Hardware Testing Phase

Hello H2P Users!

We just added a 2400 core expansion to the SMP cluster on H2P. We would like to invite you to do some testing with us. There is a new partition on the smp cluster called test. We are making this available to all users on H2P starting today in a “testing” phase.

Hardware details:

  • Dual Socket, 12 core CPU @ 2.60 GHz (i.e, 24 cores total)
  • 187 GB RAM (DDR4 @ 2666 MHz)
  • 500 GB Local SSD Scratch ($SLURM_SCRATCH)

During this period, we are interested in two aspects:

  • Precision: Do you get the same answer compared to previous calculations?
  • Speedup: How do these calculations perform compared to previous ones?

On test, the charging of SUs have been turned off! Share a support ticket with your results or issues.

If you don’t already have access:

  • See Apply for allocation for details about getting access to H2P.
  • Are you waiting on a proposal to be reviewed?
    • Be patient, we plan to finish the current reviews soon!

Thank you,

The CRC Team

Computational investigation of CO2 electroreduction on tin oxide and predictions of Ti, V, Nb and Zr dopants for improved catalysis

The Journal of Matetrials Chemistry A has just published their issue highlighting their 2017 “rising stars” and one of those individuals invited to submit an article was our very own ChemE Assistant Professor John Keith.  The link to John’s article is here.

Journal of Materials Chemistry A is proud to present this themed issue highlighting 2017’s rising stars of materials chemistry research. This issue gathers the very best work from materials chemists in the early stages of their independent career. Each contributor was recommended by experts in their fields as carrying out work with the potential to influence future directions in materials chemistry. Congratulations to all of those who feature on their important work so far in the field of materials energy and sustainability.