Featured researcher and project(s)

Dr. Gregory Odegard
Professor, ME-EM

Learn more about how computing is used in his research endeavors.

Dr. Thomas Oommen
Assistant Professor, GMES

Learn more about how computing is used in his research endeavors.


VASP Implict Solvation Model


An additional variant of VASP to facilitate implicit solvation model computations has now been compiled (for version 5.3.3) and is now available for use. Necessary job submission script can be generated via qgenscript.

Researchers are strongly recommended to verify the results for simpler/inexpensive systems with available literature before proceeding ahead with subsequent, production quality attempts for bigger/complex systems.



VASP Spin Orbit Coupling


An additional variant of VASP to facilitate spin orbit coupling computations has now been compiled (for versions 5.3.3 and 5.3.5) and is now available for use. Necessary job submission script can be generated via qgenscript.

Researchers are strongly recommended to verify the results for simpler/inexpensive systems -- preferably with both versions when permissible -- with available literature before proceeding ahead with subsequent, production quality attempts for bigger/complex systems.



R 3.1.2 (Pumpkin Helmet)


R 3.1.2 (Pumpkin Helmet; Release Notes) has been compiled and is now available for use. Necessary job submission script can be generated via qgenscript.

Researchers are strongly recommended to re-run a previously successful simulation with this newer version and make sure that the results are consistent before proceeding ahead with subsequent, production quality attempts.

Unless there is a request from researchers to do otherwise, 3.1.1 (Sock it to me) will be retired on Friday, 27th March 2015.



MATLAB R2014b


MATLAB R2014b (Release notes) has been installed and is now available for use. Necessary job submission script can be generated via qgenscript.

Researchers are strongly recommended to re-run a previously successful simulation with this newer version and make sure that the results are consistent before proceeding ahead with subsequent, production quality attempts.

Unless there is a request from researchers to do otherwise, R2013b will be retired on Friday, 27th March 2015.



R 3.1.1 (Sock it to Me)


R 3.1.1 (Sock it to Me; Release Notes) has been compiled and is now available for use. Necessary job submission script can be generated via qgenscript.

Researchers are strongly recommended to re-run a previously successful simulation with this newer version and make sure that the results are consistent before proceeding ahead with subsequent, production quality attempts.



Data Center Switch Upgrade


Telcom will be upgrading the software on the data center switches, and as such, Rama will be inaccessible during 6-7 am on Thursday, July 17th 2014.

Running simulations will be unaffected.



R 3.1.0 (Spring Dance)


R 3.1.0 (Spring Dance; Release Notes) has been compiled and is now available. Necessary job submission script can be generated via qgenscript.

Researchers are strongly recommended to re-run a previously successful simulation with this newer version and make sure that the results are consistent before proceeding ahead with subsequent, production quality attempts.



Quantum ESPRESSO 5.1


Quantum ESPRESSO 5.1 (Release Notes) has been compiled and is now available for use. Necessary job submission script can be generated via qgenscript.

Researchers are strongly recommended to re-run a previously successful simulation with this newer version and ensure that the results are consistent before proceeding ahead with subsequent, production quality attempts.



CALYPSO 3.6


CALYPSO 3.6 has been compiled and is now available for use. Necessary job submission script can be generated via qgenscript.

Researchers specifically authorized to use this software suite are strongly encourage to run a test/example simulation with our installation and ensure that the results are consistent before proceeding ahead with subsequent, production quality attempts.


  1. Open ServiceDesk Plus Portal
  2. Log in with ISO credentials
  3. Use a brief but descriptive ISSUE TITLE in the Subject field

Including as much information as possible (for e.g., command sequence/work flow that is causing the issue, job ID, full path to the folder where the simulation was started from, as is error messages, screenshots, etc.) will help diagnose and resolve the issue in a timely manner.

Built with Rocks Cluster Distribution 6.1 (with CentOS 6.3), Rama is a linux cluster in Physics.

It has 1 front end, 1 login node and 9 compute nodes [each having 12 CPU cores (Intel Xeon E5645 2.40 GHz) & 24 GB RAM].

A gigabit ethernet backend network serves both administrative and computing needs of this cluster.

Rocks Cluster Distribution Originally started by National Partnership for Advanced Computing Infrastructure and San Diego Supercomputer Center and called NPACI Rocks, Rocks Cluster Distribution is aimed at making every aspect (deploy, manage, upgrade and scale) of high performance computing clusters easy.

National Science Foundation Rocks is supported by the National Science Foundation, under grants OCI-0721623 and OCI-1032778.


Augusta Ada King-Noel, Countess of Lovelace. 102 and counting https://t.co/NoRt2TnkKb @ComputerHistory https://t.co/CvCsYNBU6q



HPC for the rest of us: Running academic service centers; cost recovery, staffing, and sustainability - part two of… https://t.co/vt1TJr6GMc



RT @hpccouncil: Thanks to all @Supercomputing for attending 'HPC for the rest of us' today! Next BoF "Running academic service centers; co…



RT @hpccouncil: Join #HPCAC BoF 'HPC for the rest of us' ~ #Stanford HPCC & @MichiganTechHPC SMEs share experiences "Managing HPC systems,…



Life, The Universe and Computing: The Story of the SKA Telescope. Dr. Philip Diamond (@SKA_DG) and Dr. Rosie Bolton… https://t.co/1QKqjz5iUb



Dr. Steven Plimpton, 2017 IEEE Computer Society Sidney Fernbach Award #SC17 #HPCConnects @Supercomputing @SandiaLabs https://t.co/lAAhAug92k



Dr. Jesus Labarta, 2017 ACM/IEEE Computer Society Ken Kennedy Award #SC17 #HPCConnects @Supercomputing https://t.co/mKJpZfyVRf



“Cultural response to technology is different: traffic lights are an instruction in Milan, suggestion in Rome and a… https://t.co/DGSG4ZwM6i



“Smart cities need to go beyond from being a luxury for some to being common good for all. If it isn’t for all, the… https://t.co/6oTkvXjxsn



“If it doesn’t matter to me, then it doesn’t matter” cannot be the attitude that underlies the design and implement… https://t.co/lXOGkQjhpL



How do we make “stunts” stick? Careful planning, workforce development and (re)training, sustaining personal relati… https://t.co/bqqG0VjPtc



Edge (local) computing would resolve issues caused by swamping of the network by the amount of data we wish to proc… https://t.co/vtwVCCiYqJ



How do we make our city easier to get around? Partnering with people and regional experts, and the power of HPC - M… https://t.co/5dz5n2ez7o



Often times, starting with technology as a solution implies we don’t understand the problem - Debra Lam #SC17 Plena… https://t.co/CimxCSVZ9P



SC17 Plenary: The Century of the City. Charlie Catlett (@CeC), Pete Beckman, Debra Lam, Michael Mattmiller (… https://t.co/T0g4B0UuTM



Numerical alchemy @GoldstrikeData @MichiganTech https://t.co/tQbuJOEB7Q