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Here you will find information about changes in our hardware/software environment and other announcments and topics of interest.

2021

  • 15. Oct. Noctua: Installed TensorFlow/2.6.0-foss-2021a
  • 13. Oct.
    • Noctua: Installed Totalview 21.3.9, a debugger for parallel applications (module load totalview)
  • 08. Oct.
    • Noctua, OCULUS: Installed EasyBuild 4.4.2
  • 07. Oct.
    • Noctua: Installed RStan 2.18.2
  • 14. Sep.
    • OCULUS: Installed NVIDIA HPC SDK 21.7
  • 10. Sep.
    • Noctua: Installed ARM FORGE 20.1.2
  • 02. Sep.
    • Noctua, OCULUS: Installed Singularity 3.8.3
    • OCULUS: Installed Tensorflow 2.6.0 for CPU and GPU (using CUDA-11.2 and cuDNN 8.1.0) as Singularity images in $PC2SW/SINGULARITY/Images/TENSORFLOW
  • 27. Aug.
    • Noctua, OCULUS: Installed Toolchains foss-2021a and intel-2021a
  • 03. Aug.
    • Noctua, OCULUS: Installed Julia 1.6.2
  • 26. Jul.
    • Noctua, OCULUS: Installed ORCA 5.0.1
  • 14. Jul.
    • Noctua, OCULUS: Installed Amsterdam Modeling Suite (AMS). Accessible only for members of the Paderborn University
  • 12. Jul.
    • OCULUS: Installed Texlive 2021
    • Noctua, OCULUS: Installed EasyBuild 4.4.1, ORCA 5.0.0, and OpenMPI 4.1.1
  • 05. Jul.
    • Noctua, OCULUS: Installed Quantum ESPRESSO 6.7
  • 01. Jun.
    • Noctua, OCULUS: Installed Julia 1.6.1, Go 1.16.3, and Singularity 3.8.0
    • OCULUS: Installed Tensorflow 2.5.0 for CPU and GPU (using CUDA-11.2 and cuDNN 8.1.0) as Singularity images in $PC2SW/SINGULARITY/Images/TENSORFLOW
  • 03. May
    • Noctua, OCULUS: Installed Gurobi 9.1.2
    • Noctua, OCULUS: Installed Singularity 3.7.3
  • 14. Apr.
    • OCULUS: Installed Gromacs-2021-foss-2020a and Gromacs-2021-fosscuda-2020a
  • 09. Apr.
    • Noctua, OCULUS: Installed GCC 10.2.0
  • 08. Apr.
    • Noctua, OCULUS: Installed EasyBuild 4.3.3
  • 07. Apr.
    • Noctua: Installed GPAW 21.1.0
  • 06. Apr.
    • OCULUS: Installed LLVM/Clang 11.1.0 with OpenMP GPU offloading
    • Noctua, OCULUS: Installed Julia 1.6.0
  • 26. Mar.
    • OCULUS: Installed Critic2
  • 16. Mar.
    • Noctua: Installed R 4.0.0 (lang/R)
  • 11. Feb.
    • OCULUS: Updated NVIDIA Accelerated Graphics Driver to 460.32.03
    • OCULUS: Installed CUDA-11.2.1-GCC-9.3.0
  • 04. Feb.
    • Noctua, OCULUS: Installed Gaussian 16 Rev. C.01. The release notes are in $PC2SW/GAUSSIAN/g16-c01/release_c01.txt.
  • 01. Feb.
    • Noctua, OCULUS: Installed Singularity 3.7.1
    • OCULUS: Installed Tensorflow 2.4.1 for CPU and GPU (using CUDA-11 and cuDNN 8.0.4) as Singularity images in $PC2SW/SINGULARITY/Images/TENSORFLOW
  • 14. Jan.
    • Noctua, OCULUS:
      • Installed Toolchain Intel 2020b, comprising Intel-Compiler 2020.4.304, Intel-MPI 2019.9.304, and MKL 2020.4.304
      • Installed IntelPython 3.7.7-2020.4.912
  • 04. Jan.
    • Noctua, OCULUS: Installed Gurobi 9.1.1

2020

  • 17. Dec.
    • OCULUS: Installed Tensorflow 2.4.0 for CPU and GPU (using CUDA-11 and cuDNN 8.0.4) as Singularity images in $PC2SW/SINGULARITY/Images/TENSORFLOW
  • 14. Dec.
    • Noctua: Installed Singularity 3.7.0
  • 08. Dec.
    • OCULUS
      • Installed Julia 1.5.1
      • Installed chem/xtb/6.2.3-foss-2019b and the ORCA 4.2.1 plugin
      • Installed chem/LAMMPS/3Mar2020-foss-2020a-Python-3.8.2-kokkos
      • Installed Singularity 3.7.0
  • 25. Nov.
    • Noctua, OCULUS: Installed Easybuild 4.3.1
    • OCULUS: Installed chem/QuantumESPRESSO/6.6-foss-2019b
  • 04. Nov.
    • OCULUS: Installed Gurobi 9.1.0
    • OCULUS: Installed Singularity 3.6.4
    • OCULUS: Updated NVIDIA Accelerated Graphics Driver to 450.80.02
    • OCULUS: Installed CUDA-11.0.207-GCC-9.3.0
    • OCULUS: Installed Gromacs-2020.4-foss-2019b and Gromacs-2020.4-fosscuda-2019b
  • 26. Oct.
    • OCULUS: Installed LLVM/Clang 11.0.0 with OpenMP GPU offloading
  • 07. Oct.
    • Noctua: Installed CP2K 7.1 (hybrid MPI-OpenMP build)
  • 01. Oct.
    • OCULUS: Installed Singularity 3.6.3
    • OCULUS: Installed Tensorflow 2.3.1 for CPU and GPU as Singularity images in $PC2SW/SINGULARITY/Images/TENSORFLOW
  • 01. Sep.
    • OCULUS: Installed Singularity 3.6.2
  • 20. Aug.
    • OCULUS: Installed Gurobi 9.0.3
  • 05. Aug.
    • Noctua, OCULUS: Installed OpenFoam-8 (module load cae/OpenFOAM/8-foss-2020a)
  • 04. Aug.
  • 03. Aug.
    • Noctua, OCULUS: Installed Parallel Studio XE Cluster Edition 2020.02
      • module load intel/20.02 or module load intel/20.02_compilers
    • OCULUS: Installed Tensorflow 2.3 for CPU and GPU as Singularity images in $PC2SW/SINGULARITY/Images/TENSORFLOW
  • 24. Jul
    • Noctua: Installed Totalview a debugger for parallel applications (module load totalview)
  • 23. Jul.
    • OCULUS installed 4 additional nodes each with one AMD EPYC 7282, 3.2GHz, 16 cores, 128 GByte main memory, two NVIDIA PNY RTX 2080 Ti (11 GByte)
      • OCULUS now provides 19 RTX2080Ti, 18 GTX1080Ti, and 19 Tesla K20
  • 20. Jul
    • OCULUS: Installed Singularity 3.6.0
  • 09. Jul.
    • Noctua, OCULUS: Installed Easybuild toolchains foss-2020a and gompi-2020a
      • Comprises: GCC 9.3.0, OpenMPI 4.0.3, OpenBLAS 0.3.9, FFTW 3.3.8, Scalapack 2.1.0, ...
  • 07. Jul.
    • OCULUS: Updated NVIDIA Accelerated Graphics Driver to 440.95.01
  • 30. Jun.
    • OCULUS: Installed Abaqus 2020
  • 16. Jun.
    • Noctua, OCULUS: Installed Easybuild 4.2.1
  • 04. Jun.
    • Noctua, OCULUS: Installed PGI Compiler Suite 20.4
    • OCULUS: Installed AmberTools (serial version)
  • 10. May
    • OCULUS: Installed Tensorflow 2.2 for CPU and GPU as Singularity images in $PC2SW/SINGULARITY/Images/TENSORFLOW
  • 22 Apr.
    • OCULUS: Installed Matlab R2020a
  • 21. Apr.
    • OCULUS: Installed 5 additional GPUs Nvidia RTX2080Ti.
      • OCULUS now provides 11 RTX2080Ti, 18 GTX1080Ti, and 19 Tesla K20
  • 15. Apr.
    • Noctua, OCULUS: Installed PGI Compiler Suite 20.1
  • 09. Apr.
    • OCULUS: Installed 4 additional GPUs Nvidia RTX2080Ti
  • 02. Apr.
    • OCULUS: Installed Gurobi 9.0.1
  • 23. Mar.
    • Noctua: Updated Cray programming environment to version 20.02
  • 03. Mar.
    • OCULUS: Installed Singularity 3.5.3
  • 28. Feb.
    • OCULUS: Installed Clang 11 (bootstrapped with libstdc++ from GCC 8.3.0)
      • Better support for CUDA 10.1
      • Some bugs in Clang 9.0.1 have been fixed
  • 26. Feb.
    • OCULUS: Installed Python 3.7.4
    • OCULUS: Installed Tensorflow 2.1 for GPU as Singularity image in $PC2SW/SINGULARITY/Images/TENSORFLOW
  • 18. Feb.
    • Noctua: Installed OpenMolcas 18.09
  • 10. Feb. until 17. Feb. OCULUS Maintenance
    • During the maintenance, we did:
      • Update the BeeGFS parallel file system ($PC2PFS) to version 7.1.4
      • Installed a small CCS-dashboard (try ccsdashboard)
      • Prepare the installation of new GPUs (will be installed as soon as they arrive at our site).
      • OCULUS now has:
        • 1 node with 2 RTX2080
        • 13 nodes with 1 GTX1080
        • 2 nodes with 2 GTX1080
        • 14 nodes with 1 Tesla K20
        • 7 nodes with 2 Tesla K20
  • 03. Feb.
    • OCULUS: Installed SCIP 6.0.2
  • 21. Jan.
    • Noctua, OCULUS: Installed Ansys 2020 R1
  • 20. Jan.
    • OCULUS: Installed Clang/LLVM 9.0.1 with OpenMP offloading
  • 03. Jan.
    • Noctua, OCULUS: Installed Gromacs 2020
    • OCULUS: Installed CUDA 10.2.89 and NVIDIA Accelerated Graphics Driver 440.33.01
  • 02. Jan.
    • OCULUS: Installed Singularity 3.5.2

2019

  • 20. Dec.
    • Noctua: Installed Parallel Studio XE Cluster Edition 2020
      • module load intel/20.0.0 or module load intel/20.0.0_compilers
    • OCULUS: Installed GCC 9.2.0-offload with OpenMP and OpenACC support for offloading computation on GPU
      • module load gcc/9.2.0-offload
  • 18. Dec.
    • OCULUS: Installed Parallel Studio XE Cluster Edition 2020
      • module load intel/20.0.0 or module load intel/20.0.0_compilers
  • 09. Dec.
    • Noctua, OCULUS: Installed Git 2.23
    • OCULUS: Installed cmake 3.15
  • 05. Dec.
    • Noctua: Installed Go 1.13.1
    • Noctua: Installed Singularity 3.5.0
  • 02. Dec.
    • OCULUS: Installed Gurobi 9.0.0
    • OCULUS: Installed Singularity 3.5.0
    • OCULUS: Installed Go 1.13.1
    • OCULUS: Installed Matlab 2019b
  • 13. Nov.
    • OCULUS: Installed OpenJDK 11
  • 8. Nov.
    • Noctua: Installed OpenJDK 1.8 and 11
  • 4. Nov.
    • OCULUS: Installed ORCA 4.2.1
  • 21. Oct.
    • Noctua, OCULUS: Installed EasyBuild 4.0.1
  • 2. Oct.
    • Noctua, OCULUS: Installed Singularity 3.4.1
    • OCULUS: Installed new Singularity images for Tensorflow 1.14 and 2.0.0 on GPUs using CUDA 10 to $SINGULARITYHOME/Images
  • 1. Oct.
    • OCULUS: Installed ORCA 4.2.0
  • 9. Sept.
  • 13. Aug.
    • Noctua
      • Installed Singularity 3.3.0
      • Installed EasyBuild 3.9.3
    • OCULUS:
      • OpenCCS: the new command ccstracejob prints log- and accounting-data of completed jobs.
      • Installed Singularity 3.3.0
      • Installed EasyBuild 3.9.3
  • 8. Aug.
    • OCuLUS: replaced Tesla K20 with NVIDIA GTX 1080Ti in gpu002 and gpu011
  • 5. Aug.
  • 17. Jul.
  • 09. Jul.
    • Noctua, OCULUS: Installed Intel Parallel Studio 2019 update-4
  • 21. Jun.
  • 19. Jun.
    • Noctua: Installed OpenFOAM-5.0
    • OCULUS: Installed OpenFOAM-6
  • 11. Jun.
  • 4. Jun.
  • 28. May
  • 25. May
    • OCULUS: Installed CUDA 10.1.105 and CUDA-Driver 418.67 on all Tesla and GTX nodes.
  • 23. May
    • Noctua, OCULUS: Installed Singularity 3.2.0
  • 09. May
  • 02. May
  • 30. Apr.
    • Noctua, OCULUS: Installed Gromacs 2019
  • 18. Apr.
  • 16. Apr.
    • OCULUS: Installed Gurobi 8.1.1
  • 12. Apr.
  • 11. Apr.
    • Noctua: Cray Programming Environment (Cray PE) 19.04 installed
  • 10. Apr.
    • OCULUS: Installed ORCA 4.1.2
  • 04. Apr.
    • OCULUS: Installed OpenCCS 0.9.8-5. New features are:
      • Manager Role, Hold/Resume, Excluding jobs from mapping, Background jobs, Resource credit handling.
      • Refer to the User-Manual Chapter 3.1, for detalled information about the new features.
  • 15. Mar.
  • 11. Mar.
    • Noctua, OCULUS: Installed Intel Parallel Studio 2019 update-3
  • 08. Mar.
    • OCULUS: Installed Matlab 2018b
    • Noctua, OCULUS: Installed Singularity 3.1.0
  • 06. Mar.
    • OCULUS: Installed ORCA 4.1.1
  • 28. Feb.
    • OCULUS: Installed a new Singularity image for Tensorflow 1.13 on GPUs using CUDA 10 to $SINGULARITYHOME/Images/TENSORFLOW
  • 12. Feb.
  • 07. Feb.
    • Noctua, OCULUS: Installed Intel Parallel Studio 2019 update-2
  • 06. Jan.
  • 31. Jan.
    • ARMINIUS, OCULUS: Installed OpenCCS 0.9.8-4. Refer to the User-Manual for the new features.
  • 21. Jan.
  • 17. Jan.
  • 10. Jan.
    • OCULUS, Noctua: Installed EasyBuild 3.8.0
  • 07. Jan.
    • Noctua: Installed Singularity 3.0.2 and Go 1.11.4

2018

2017

2016

  • 15. Dez.
  • 14. Dec.
  • 16. Nov.
    • ARMINIUS, HTC, OCULUS: Installed Mono 4.6.2 and Python 3.5.2
  • 14. Nov.
  • 3. Nov.
    • OCuLUS: Dalton 2016.2 is installed
  • 2. Nov.
    • OCuLUS: NAMD version 2.11 is installed
  • 28. Oct.
    • OCULUS: BigDFT version 1.7.7, an ab initio code based on Daubechies wavelets, is installed.
  • 27. Oct.
  • 26. Oct.
    • ARMINIUS, HTC, OCULUS: installed Gurobi 7.0.0
    • OCULUS: CP2K version 4.1 is installed.
  • 24. Oct.
  • 21. Oct.
    • ARMINIUS, HTC, OCULUS: installed Matlab R2016b
    • OCULUS: Quantum Espresso version 6.0 is installed.
  • 18. Oct.
    • OCULUS is available again.
      • We did a major upgrade of
        • the operating system (from SL-6.4 to SL-7.2), Linux kernel is now 3.10-327.36 and glibc is 2.17
        • the parallel file system (/scratch, $PC2SCRATCH) (from FhGFS 2014 to BeeGFS 2015.03-r18)
        • the drivers for Infiniband, GPUs, MIC cards
      • Due to the upgrade
        • all submitted jobs are lost. Please re-submit.
        • all hosts got new host-keys. Remove your $HOME/.ssh/known_hosts
        • you have to re-compile your openmpi applications
      • We tried to install all necessary packages and checked a lot of the installed software in $PC2SW. However, it might happen that something works not as expected. In such a case, please send an email to pc2-gurus@uni-paderborn.de
  • 5. Aug.
    • Gurobi Online Seminar "Introduction to Modeling with Python and Gurobi"
  • 28. Jul.
  • 26. Jul.
    • ARMINIUS: Installed OpenCCS 0.9.8 (New feature: Job-Array support). Refer to $PC2SW/doc/OpenCCSUserGuide.pdf for more information.
  • 22. Jul.
    • OCuLUS, ARMINIUS, HTC: SCIP 3.2.1 installed
  • 18. Jul.
    • OCuLUS, ARMINIUS, HTC: Turbomole 7.1 and TmoleX16 installed
  • 28. Jun
  • 20. Jun.
    • OCuLUS: Intel vTune installed Release 2016 update-4
  • 10. Jun.
  • 13. May
    • HTC: installed Mono 4.5.0
  • 12. May
    • ARMINIUS: installed Mono 4.3.2
    • Intel Development Tools Seminars: e.g. "How NUMA Affects your Workloads- Intel VTune Amplifier"
  • 11. May
    • RWTH Aachen: "Performance Optimisation and Productivity Centre of Excellence in Computing Applications" provides program code optimisation services, https://pop-coe.eu
  • 9. May
  • 15. Apr.
    • HTC: installed Mono 4.5.0
  • 8. Apr.
    • Arminius & OCuLUS & HTC: Matlab R2016a installed.
  • 5. Apr.
  • 31. Mar.
    • OCuLUS: Deep Learning Framework CAFFE version 1.0.0rc3 is installed.
  • 29. Mar.
  • 18.Mar.
  • 8. Mar.
  • 26. Feb.
  • 25. Feb.
  • 23. Feb.
    • OCuLUS: VASP version 5.4.1 installed with GPU supported.
  • 18. Feb.
    • OCuLUS: OpenFst Library version 1.5.1 is installed.
  • 8. Feb.
  • 5. Feb.
  • 4. Feb.
    • OCuLUS: Ansys 17.0 is installed.
  • 3. Feb.
  • 26. Jan.
    • OCuLUS: CUDA 7.0 installed (try module avail cuda70)
  • 20. Jan.
  • 18. Jan.
    • OCuLUS: CUDA 6.5 installed (try module avail cuda65)
    • OCuLUS: PLASMA,Parallel Linear Algebra Software for Multicore Architectures, version 2.8.0 is installed
  • 15. Jan.
    • OCuLUS: Intel vTune, performance analysis tool, is installed
  • 12. Jan.
    • OCuLUS: OpenCCS update. New features: automatic job priorities, Node minimal resources. For more detailed information refer to the User-Manual in $PC2SW/doc
  • 7. Jan.
    • OCuLUS: gcc 5.2.0 installed
  • 6. Jan.
    • ARMINIUS: Intel Compiler 15.0.1 and MKL 11.2 installed
  • 5. Jan.
    • OCuLUS: FFTW Version 3.3.4 installed

2015

2014

2013

  • 8 Nov,
    • OCuLUS Hardware-Update
      • 2 new SMP nodes with each 1TB memory (smp03 and smp04)
      • 1 virtual SMP node (vsmp01) with 256 cores and 4 TB memory (refer to vSMP)
    • OCuLUS Software-Update
      • Operating system is now Scientific Linux release 6.4
      • Intel-Compiler-Suite 14.0 is now default intel compiler
      • OpenMPI 1.6.5 is now default OpenMPI
      • FhGFS update to 2012.10-r9. Refer to Changelog.
    • OCuLUS OpenCCS update
      • New Features:
        • ncpus limit enforcement
          • OpenCCS now observes that a job will not use more ncpus than requested.
          • Refer to User-Manual section 5.5.2 for more details.
        • Option --fmt to ccsinfo -s and ccsinfo -n
          • Using the option --fmt one can specify which information fields should be shown, the field format, and their order.
          • Refer to the ccsinfo man page or the User-Manual section 7.1.3 and section 7.2.1 for more details.
        • Option --raw to ccsinfo -s and ccsinfo -n
          • Using the option --raw prints the fields in a raw format: No head- line, no field formatting. Fields are separated by blanks.
          • Refer to ccsinfo man page or the User-Manual section 7.1.3 and section 7.2.1 for more details.
        • Option --reqid to ccsinfo -n
          • Prints information about nodes assigned to request reqID. Refer to the ccsinfo man page or the User-Manual section 7.2.1 for more details.
        • ccsinfo -s accepts reqIDs as a filter.
          • E.g., ccsinfo -s 123 456 prints information only for the requests with reqID 123 or 456.
  • 7 Nov.
    • OCuLUS: Gromacs Version 4.6.3 with GPU support is installed
    • OCuLUS/Arminius+: Gaussian Rev D.01 is installed
  • 4 Nov.
    • OCuLUS: Version 2.0 of the Performance Optimization Tool Scalasca is installed
  • 31 Oct.
    • OCuLUS: New Intel Compiler C/C++ and Fortran are installed (Version 14.0)