Laboratory Computing Resource Center
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September 23, 2021,
Announcements, John Low
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
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September 15, 2021,
Announcements, John Low
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
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July 12, 2021,
Announcements
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
