Featured researcher and project(s)

Dr. Pengfei Xue
Assistant Professor, CEE

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

Dr. Ravindra Pandey
Professor, Physics

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


Annual proactive maintenance


In order to ensure that Portage continues to operate consistently at a high level, IT will be performing proactive maintenance work starting at 8 am on Tuesday, 5th May 2014.

All nodes -- including the front end, login and storage nodes -- will need to be powered down. Any running simulation at that time will be automatically terminated without further notice.

As such, researchers are requested to complete (or at least checkpoint) their simulations, and transfer any necessary data to a local workstation so that analysis, visualization, and manuscript preparation work can still be continued.

Portage should be accessible as before starting at 8 am on Friday, 8th May 2014.



VASP Implicit 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, Portage 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.


  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.

Named after the waterway that cuts across the Keweenaw Peninsula, the Portage Canal, and built with Rocks Cluster Distribution 6.1.1 (with CentOS 6.3), Portage is a central high performance computing cluster.

It is used for testing, educational (course work and/or senior design projects) and gateway/preliminary research projects involving non-confidential and non-sponsored data.

It has 1 front end, 1 login node, 1 NAS node (6 TB RAID60 with 5 TB usable space), 5 CPU compute nodes [each having 16 CPU cores (Intel Sandy Bridge E5-2670) and 64 GB RAM] and 1 GPU compute node [each having 16 CPU cores (Intel Sandy Bridge E5-2670), 64 GB RAM and 4 NVIDIA Tesla M2090 GPUs].

A gigabit ethernet backend network serves the administrative needs of this cluster, and a 56 Gb/s InfiniBand network serves its computing needs.

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.


New bacteria in hydraulic fracturing wells https://t.co/uv0fWckcx7



Relevancy of High-Performance Computing https://t.co/6Ihx4H0cAC @SciNode @NSF_CISE



Brain network variability https://t.co/HXUkZTtaRR @ScienceBeta



Forgetting stuff https://t.co/BUhm2oPOll



Science on the hill https://t.co/NgxxxYEw6a @LosAlamosNatLab



Intelligent sports with Big Data https://t.co/6CQicXSWbj



Developing applications for exascale computing project https://t.co/MgPahCvSP5 @insideHPC @Energy @Argonne



Journey to the center of the cell https://t.co/BD9cVQeCUi @ScienceMag



7nm chips https://t.co/NfOgMpcILy @Intel



Science for Policy, and Policy for Science @WhiteHouse @CASC_HPC https://t.co/V8438e5KYk



Taming lethal heart diseases with light https://t.co/tkqgji9m5z @JohnsHopkins



Brain-sensing technology and 12 words per minute https://t.co/yVoQEADEjK @Stanford



Protein-like structures from the primordial soup https://t.co/lldeiN122Q



OpenMP and SIMD https://t.co/SUSmu1izAZ @insideHPC @Intel