Laboratory Computing Resource Center

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  • Quantum Espresso 6.8 on Bebop and Swing.

    Version 6.8 of Quantum Espresso has been benchmarked on Bebop on the Broadwell, Knights Landing, and Swing.  These builds can be found in subfolders of /soft/espresso/6.8/{bdw,knl-omp, and swing}.  There are sample bash scripts in the /soft/espresso/6.8/{bdw,knl-omp, and swing}/examples folders which can be submitted as batch … Read More

  • User Notes for Quantum Espresso on Swing

    We have built Quantum Espresso (QE) 6.8 optimized for the A100s on Swing. The binaries are installed in /soft/espresso/6.8/swing/bin. Note that only pw.x is optimized for swing. We observe speedups ranging from a factor of 6 to a factor of 2 for models containing hundreds … Read More

  • July 2021 Maintenance Day Moved for Power Outage

    LCRC Users, We are moving the July 2021 monthly maintenance in LCRC due to an upcoming building and datacenter power outage on Monday, July 19th. To prepare for this, we will need to shut down the LCRC resources on Sunday, July 18th at noon Central … Read More