HPC cluster Zhores

• The compute part
  Compute blades:
  CPU Nodes – 48
  MEM nodes – 10
  GPU Nodes – 26
  Virtualization nodes – 6
  Peak performance 1 PFLOP/s
  104 GPUs(Tesla V100-SXM2) with 16Gb of memory
• Interconnect
  Data network: InfiniBand EDR (100 Gb/s)
  Service and management networks: 1GbE
• The data storage system
  Parallel file system of data storage: GPFS 416T
  Home directory: BeeGFS 100T
  CephFS
• OS
  CentOS Linux release 7.9 (kernel 5.4.15)
• Workload Manager
  Slurm 20
• The list of available queues

  PARTITION	AVAIL	TIME LIMIT	NODES	STATE	NODE LIST	NODE LIMIT
  cpu	up	6-00:00:00	48	idle	cn[01-48]	16
  mem	up	6-00:00:00	10	idle	ct[01-10]	4
  gpu	up	6-00:00:00	25	idle	gn[01-25]	8
  gpu_devel	up	12:00:00	14	idle	vt[01-14]	1
  htc	up	1-00:00:00	25	idle	cn[01-48],ct[01-10],gn[01-25]	1

• The list of software

  • apps/amulet                  apps/qe-gpu-6.5a2            compilers/glibc-2.18         gpu/cuda-11.0                modulegroups/cuda            python/anaconda3
  • apps/avogadro-1.2            apps/qtorch                  compilers/hdf5-1.10.4        gpu/cuda-11.1                modulegroups/cv-advanced     python/horovod-0.18
  • apps/git-2.24                apps/QuEST                   compilers/intel              gpu/cuda-11.2                mpi/hpcx-v2.4.0              python/horovod-0.19
  • apps/gnuplot                 apps/R-3.6.1                 compilers/intel_2018.3.222   gpu/cuda-8.0                 mpi/hpcx-v2.5.0              python/intel-3.7
  • apps/grive-0.5.2             apps/schrodinger_2018.1      compilers/intel_2019.5.281   gpu/cuda-9.0                 mpi/hpcx-v2.6.0              python/ipython3
  • apps/gromacs-2018.3          apps/schrodinger_2020.3      compilers/intel_2020.1.217   gpu/cuda-9.2                 mpi/hpcx-v2.7.0              python/jupyter-notebook
  • apps/gromacs-2019.3          apps/slav-2016               compilers/intel_2020.2.254   gpu/rCUDA-18                 mpi/mvapich23-x86_64         python/pymol-2.5.0
  • apps/gromacs-2020.2          apps/uspex                   compilers/java-13            gpu/rCUDA-19                 mpi/openmpi-2.1.2            python/python-2.7.5-user
  • apps/intel-QS                apps/vampire/5.0.0           compilers/java-8             hardware/hwloc-2.0.1         mpi/openmpi-3.1.2            python/python-3.4.9
  • apps/julia-1.0.3             apps/vasp-5.4.4              compilers/libffi-3.3         hardware/likwid_5.0.1        mpi/openmpi-3.1.4            python/python-3.6.8
  • apps/lammps-20190807         apps/wine-5.0                compilers/libunwind-1.4      hardware/papi_5.7.0          mpi/openmpi-4.0.2a1          python/python-3.7.1
  • apps/lammps-20200207         apps/xilinx_vivado_2019.1    compilers/phdf5-1.10         hardware/pcm                 mpi/sionlib-1.6.1            python/pytorch-1.3.0
  • apps/lammps-20200719         chem/openabebel-3.1.1        compilers/pngwriter-0.7      hardware/perf_4.10.1         mpi/sionlib-1.7.5            python/pytorch-1.5.0
  • apps/lammps-22               chem/smina-0                 compilers/valgrind-3.16      intel/2019                   pgi/openmpi/3.1.3/2019       python/pytorch-1.6.0
  • apps/lammps-intel-jan04      compilers/bzip2-1.0.6        compilers/zeromq-4.3.1       intel/2020                   pgi/pgi/19.10                python/pytorch-1.6.0-3.7
  • apps/matlab-R2018b           compilers/cmake-3.12         compilers/zlib-1.2           intel/mkl/2019               pgi/pgi/2019                 python/tensorflow-1.14
  • apps/matlab-R2019a_PS        compilers/fftw-3.3.8         devtoolset/7                 intel/mkl/2020               pgi/pgi-llvm                 python/tensorflow-2.2
  • apps/matlab-R2020a_PS        compilers/gcc-4.8.5          devtoolset/8                 lib/heffte-1.0               pgi/pgi-nollvm               tools/OSS-2.4
  • apps/matlab-R2020b_PS        compilers/gcc-4.9.2          devtoolset/9                 lib/libxc-5.0.0              pgi/PrgEnv-pgi/19.10         vasp/5.4.4
  • apps/netcdf-3                compilers/gcc-5.5.0          golang/1.14.3                lib/magma-2.5.3              python/3.5                   vasp/6.1.1
  • apps/netcdf-4                compilers/gcc-6.3.1          golang/mumax3                lib/petsc/3.13.3             python/3.6                   visualization/paraview-5.6.0
  • apps/openbabel-2.4           compilers/gcc-7.3.0          gpu/cuda-10.0                lib/petsc/3.13.3-cuda        python/3.7                   visualization/paraview-5.8.0
  • apps/plumed-2.6.1            compilers/gcc-7.3.1          gpu/cuda-10.1                lib/petsc/3.14.2             python/3.8                   visualization/visit-3.0.0

  apps/qe-20200429             compilers/gcc-8.3.0          gpu/cuda-10.2                likwid                       python/anaconda2             visualization/vnc-server
  

• Publication :

‘Zhores’ — Petaflops supercomputer for data-driven modeling, machine learning and artificial intelligence installed in Skolkovo Institute of Science and Technology

If you have a technical questions regarding the cluster, please send your question(s)/request(s) to: