Laboratory Computing Resource Center

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  • Molpro User Notes

    Molpro is a comprehensive toolkit for ab initio electronic structure calculations. See https://www.molpro.net/ for more details.We have built Molpro 2022.1.1 using Global Arrays with the MPI-PR option. This means that your Molpro job will actually run with one less task per node … Read More

  • LCRC News and Notes for December 2021

    Hello! Below we have outlined a few important notes regarding the LCRC systems including the upcoming holiday schedule. If you have any questions, please email support at lcrc.anl.gov. Thanks for another great year and happy holidays! Maintenance on Monday, December 13, 2021 We will … Read More

  • November 2021 Maintenance Day Moved for Power Outage

    LCRC Users, We are moving November’s monthly maintenance in LCRC due to an upcoming building and datacenter power outage starting end of day Friday, November 19th, 2021. To prepare for this, we will need to shut down all LCRC resources on Friday, November 19th around … Read More