The content regarding the SQUID software update due to the end-of-year maintenance in 2023

SQUID

    The software update was implemented as follows.

    General-Purpose CPU Nodes GPU Nodes Vector Nodes
    Compiler Intel one API 2023.0→2023.2 NVIDIA HPC SDK 22.11→23.11 NEC SDK 5.0.0→5.2.0
    Communication Library intelMPI 2021.8.0→2021.10.0 OpenMPI 4.1.4→4.1.5 NEC MPI 3.2.0→3.6.0

    Please execute the following to use the latest environment:

    module load BaseCPU/2024 for General-Purpose CPU Nodes (Intel Compiler)
    module load BaseGCC/2024 for General-Purpose CPU Nodes (GNU Compiler)
    module load BaseGPU/2024 for GPU Nodes
    module load BaseVEC/2024 for Vector Nodes

    If you encounter a runtime error, please recompile with the above environment.
     

    About data migrated from OCTOPUS

      For those who used OCTOPUS in fiscal year 2023 and have applied for SQUID in fiscal year 2024, we are migrating data from SQUID to OCTOPUS.

      Destination Directory(SQUID) /octfs/work
      /octfs/home

      Due to data migration, there is a problem with the display results in the usage_view command. Please refer to the following for details.

      Problems in displaying the usage_view command due to data migration


       

    About gcc

      gcc11 has been installed.
      The default version of gcc is 8.5, so if you are using gcc11, please load the module as follows:

      $ module load /system/apps/env/gcc/Compiler/gcc/11.4.0

       

    Regarding the use of Quantum Espresso on Vector Nodes

      Previously, when using Quantum Espresso on vector nodes, you had to enclose the command in double quotes " like this, but the double quotes are no longer necessary.

      mpirun -version /opt/nec/ve/bin/mpisep.sh ${LM} "-np 80 -npool 2 -nband 1 -ntg 1 -ndiag 4 -input ausurf.in"

      ↓

      mpirun -version /opt/nec/ve/bin/mpisep.sh ${LM} -np 80 -npool 2 -nband 1 -ntg 1 -ndiag 4 -input ausurf.in

       

      Please refer to the following for detailed instructions on how to use QuantumESPRESSO.

      How to use Quantum ESPRESSO (SQUID)

       

    About AVS

      An OpenGL error may occur at startup due to version incompatibility between Xserver and Xclient. In such cases, please turn off OpenGL usage by specifying the "-nohw option".
       

    About Subrequests for Parametric Requests

      We have increased the limit for subrequests generated on the batch server from 100 to 500.
       

    About GPU LAMMPS

    About IDL 9.0

      IDL 9.0 is now available for use.
      *It has been confirmed that it can be launched simultaneously with the previously installed IDL 8.8.

       

      If you are using IDL 9.0, please load the module as follows:

      $ module load BaseApp/2024
      $ module load IDL/9.0
      $ idlde

       



    Posted : April 17,2024