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  • Vienna Scientific Cluster

    High Performance Computing available to Staff Austrian HPC effort part of EuroCC

    Links:

    We have the privilege to be part of the VSC and have private nodes at VSC-5 (since 2022), VSC-4 (since 2020) and VSC-3 (since 2014), which is retired by 2022.

    Access is primarily via SSH:

    $ ssh user@vsc5.vsc.ac.at
    $ ssh user@vsc4.vsc.ac.at
    $ ssh user@vsc3.vsc.ac.at (old does not work anymore)

    Please follow some connection instruction on the wiki which is similar to all other servers (e.g. SRVX1). The VSC is only available from within the UNINET (VPN, ...). Authentication requires a mobile phone.

    We have private nodes at our disposal and in order for you to use these you need to specify the correct account in the jobs you submit to the queueing system (SLURM). The correct information will be given to you in the registration email.

    IMGW customizations in the shell

    If you want you can use some shared shell scripts that provide information for users about the VSC system.

    # run the install script, that just appends to your PATH variable.
    /gpfs/data/fs71386/imgw/install_imgw.sh

    Please find the following commands available:

    • imgw-quota shows the current quota on VSC for both HOME and DATA
    • imgw-container singularity/apptainer container run script, see below
    • imgw-transfersh Transfer-sh service on srvx1, easily share small files.
    • imgw-cpuinfo Show CPU information

    Please find a shared folder in /gpfs/data/fs71386/imgw/shared and add data there that needs to be used by multiple people. Please make sure that things are removed again as soon as possible. Thanks.

    Node Informaiton VSC-5

    CPU model:  AMD EPYC 7713 64-Core Processor
    1 CPU,  64 physical cores per CPU, total 128 logical CPU units
    
    512 GB Memory

    We have access to 11 private Nodes of that kind. We also have access to 1 GPU node with Nvidia A100 accelerators. Find the partition information with:

    $ sqos
                qos_name total  used  free     walltime   priority partitions  
    =========================================================================
             p71386_0512    11     0    11  10-00:00:00     100000 zen3_0512   
         p71386_a100dual     1     0     0  10-00:00:00     100000 gpu_a100_dual

    Storage on VSC-5

    the HOME and DATA partition are the same as on VSC-4.

    Node Information VSC-4

    CPU model: Intel(R) Xeon(R) Platinum 8174 CPU @ 3.10GHz
    2 CPU, 24 physical cores per CPU, total 96 logical CPU units
    
    378 GB Memory

    We have access to 5 private Nodes of that kind. We also have access to the jupyterhub on VSC. Check with

    $ sqos
                qos_name total  used  free     walltime   priority partitions  
    =========================================================================
                 jupyter    20     1    19   3-00:00:00       1000 jupyter     
             p71386_0384     5     0     5  10-00:00:00     100000 mem_0384 

    Storage on VSC-4

    All quotas are shared between all IMGW/Project users:

    • $HOME (up to 100 GB, all home directories)
    • $DATA (up to 10 TB, backed up)
    • $BINFL (up to 1TB, fast scratch), will be retired
    • $BINFS (up to 2GB, SSD fast), will be retired
    • $TMPDIR (50% of main memory, deletes after job finishes)
    • /local (Compute Nodes, 480 GB SSD, deletes after Job finishes)

    VSC Storage Performance

    Check quotas running the following commands yourself, including your PROJECTID or use the imgw-quota command as from the imgw shell extensions

    $ mmlsquota --block-size auto -j data_fs71386 data
                             Block Limits                                    |     File Limits
    Filesystem type         blocks      quota      limit   in_doubt    grace |    files   quota    limit in_doubt    grace  Remarks
    data       FILESET      4.027T     9.766T     9.766T     482.4M     none |   176664 1000000  1000000       65     none vsc-storage.vsc4.opa
    
    $ mmlsquota --block-size auto -j home_fs71386 home
                             Block Limits                                    |     File Limits
    Filesystem type         blocks      quota      limit   in_doubt    grace |    files   quota    limit in_doubt    grace  Remarks
    home       FILESET      62.17G       100G       100G     207.8M     none |   631852 1000000  1000000      287     none vsc-storage.vsc4.opa
    

    Other Storage

    We have access to the Earth Observation Data Center EODC, where one can find primarily the following data sets:

    • Sentinel-1, 2, 3
    • Wegener Center GPS RO

    These datasets can be found directly via /eodc/products/.

    We are given a private data storage location (/eodc/private/uniwien), where we can store up to 22 TB on VSC-4. However, that might change in the future.

    Node Information VSC-3

    CPU model:  Intel(R) Xeon(R) CPU E5-2650 v2 @ 2.60GHz
    2 CPU,  8 physical cores per CPU, total 32 logical CPU units
    
    126 GB Memory

    Storage on VSC-3

    All quotas are shared between users:

    • $HOME (up to 5 TB, all home directories)
    • $GLOBAL (up to 12 TB)
    • $BINFL (up to 10 GB, fast scratch)
    • $BINFS (up to 2 GB, SSD fast)

    Check quotas:

    $ beegfs-ctl --getquota --cfgFile=/etc/beegfs/global3.d/beegfs-client.conf --gid 70653
          user/group     ||           size          ||    chunk files    
         name     |  id  ||    used    |    hard    ||  used   |  hard   
    --------------|------||------------|------------||---------|---------
            p70653| 70653||    5.62 TiB|   12.00 TiB||   175886|  1000000

    Run time limits

    On VSC-3 we have a max runtime of 10 days for the private Queue. The normal queues have 3 days. the devel only 10 min (for testing)

    $ sacctmgr show qos format=name%20s,priority,grpnodes,maxwall,description%40s
    
                    Name   Priority GrpNodes     MaxWall                                    Descr 
    -------------------- ---------- -------- ----------- ----------------------------------------
             p70653_0128     100000       10 10-00:00:00           priv nodes univie meteorologie 
             normal_0064       2000     1286  3-00:00:00                                 all user 
             normal_0256       2000        6  3-00:00:00                                 all user 
             normal_0128       2000       11  3-00:00:00                                 all user 
              devel_0128    5000000       10    00:10:00         for developing and testing codes 
    

    on VSC-4 accordingly:

    $ sacctmgr show qos  format=name%20s,priority,grpnodes,maxwall,description%40s
                    Name   Priority GrpNodes     MaxWall                                    Descr 
    -------------------- ---------- -------- ----------- ---------------------------------------- 
             p71386_0384     100000          10-00:00:00                 private nodes haimberger 
                    long       1000          10-00:00:00               long running jobs on vsc-4 
               fast_vsc4    1000000           3-00:00:00                     high priority access 
               idle_0096          1           1-00:00:00                         vsc-4 idle nodes 
               idle_0384          1           1-00:00:00                         vsc-4 idle nodes 
               idle_0768          1           1-00:00:00                         vsc-4 idle nodes 
                mem_0096       1000           3-00:00:00 vsc-4 regular nodes with 96 gb of memory 
                mem_0384       1000           3-00:00:00 vsc-4 regular nodes with 384 gb of memo+ 
                mem_0768       1000           3-00:00:00 vsc-4 regular nodes with 768 gb of memo+ 
    

    SLURM allows for setting a run time limit below the default QOS's run time limit. After the specified time is elapsed, the job is killed:

    #SBATCH --time=<time> 

    Acceptable time formats include minutes, minutes:seconds, hours:minutes:seconds, days-hours, days-hours:minutes and days-hours:minutes:seconds.

    Example Job

    Example Job on VSC-3

    We have 16 CPUs per Node. In order to fill:

    • --partition=mem_xxxx (per email)
    • --qos=xxxxxx (see below)
    • --account=xxxxxx (see below)

    The core hours will be charged to the specified account. If not specified, the default account will be used.

    on VSC-3 our account is called:

    $ sacctmgr show user `id -u` withassoc format=user,defaultaccount,account,qos%40s,defaultqos%20s
    
         User   Def Acct    Account                                      QOS              Def QOS 
    ---------- ---------- ---------- ---------------------------------------- -------------------- 
         71633     p70653     p70653                   devel_0128,p70653_0128          p70653_0128 
    

    Put this in the Job file:

    #!/bin/bash
    #
    #SBATCH -J TEST_JOB
    #SBATCH -N 2
    #SBATCH --ntasks-per-node=16
    #SBATCH --ntasks-per-core=1
    #SBATCH --mail-type=BEGIN    # first have to state the type of event to occur 
    #SBATCH --mail-user=<email@address.at>   # and then your email address
    #SBATCH --partition=mem_xxxx
    #SBATCH --qos=p70653_0128
    #SBATCH --account=p70653
    #SBATCH --time=<time> 
    
    # when srun is used, you need to set (Different from Jet):
    <srun -l -N2 -n32 a.out > 
    # or
    <mpirun -np 32 a.out>
    • -J job name
    • -N number of nodes requested (16 cores per node available)
    • -n, --ntasks= specifies the number of tasks to run,
    • --ntasks-per-node number of processes run in parallel on a single node
    • --ntasks-per-core number of tasks a single core should work on
    • srun is an alternative command to mpirun. It provides direct access to SLURM inherent variables and settings.
    • -l adds task-specific labels to the beginning of all output lines.
    • --mail-type sends an email at specific events. The SLURM doku lists the following valid mail-type values: "BEGIN, END, FAIL, REQUEUE, ALL (equivalent to BEGIN, END, FAIL and REQUEUE), TIME_LIMIT, TIME_LIMIT_90 (reached 90 percent of time limit), TIME_LIMIT_80 (reached 80 percent of time limit), and TIME_LIMIT_50 (reached 50 percent of time limit). Multiple type values may be specified in a comma separated list." cited from the SLURM doku
    • --mail-user sends an email to this address
    $ sbatch check.slrm    # to submit the job             
    $ squeue -u `whoami`   # to check the status  of own jobs
    $ scancel  JOBID       # for premature removal, where JOBID
                                           # is obtained from the previous command   

    Example Job on VSC-4

    We have 48 CPUs per Node. In order to fill:

    • --partition=mem_xxxx (per email)
    • --qos=xxxxxx (see below)
    • --account=xxxxxx (see below)

    The core hours will be charged to the specified account. If not specified, the default account will be used.

    on VSC-4 our account is called:

    $ sacctmgr show user `id -u` withassoc format=user,defaultaccount,account,qos%40s,defaultqos%20s
    
          User   Def Acct    Account                                      QOS              Def QOS 
    ---------- ---------- ---------- ---------------------------------------- -------------------- 
         74101     p71386     p71386                              p71386_0384          p71386_0384 
    

    Put this in the Job file:

    #!/bin/bash
    #
    #SBATCH -J TEST_JOB
    #SBATCH -N 2
    #SBATCH --ntasks-per-node=48
    #SBATCH --ntasks-per-core=1
    #SBATCH --mail-type=BEGIN    # first have to state the type of event to occur 
    #SBATCH --mail-user=<email@address.at>   # and then your email address
    #SBATCH --partition=mem_xxxx
    #SBATCH --qos=p71386_0384
    #SBATCH --account=p71386
    #SBATCH --time=<time> 
    
    # when srun is used, you need to set (Different from Jet):
    <srun -l -N2 -n32 a.out > 
    # or
    <mpirun -np 32 a.out>

    submit the job

    $ sbatch check.slrm    # to submit the job             
    $ squeue -u `whoami`   # to check the status  of own jobs
    $ scancel  JOBID       # for premature removal, where JOBID
                                           # is obtained from the previous command   

    Software

    The VSC use the same software system as Jet and have environmental modules available to the user:

    • VSC Wiki Software
    • VSC-3 has an anaconda3 module
    • VSC-4 has miniconda3 modules for GNU and INTEL ;)
    $ module avail        # lists the **available** Application-Software,
                          # Compilers, Parallel-Environment, and Libraries
    $ module list         # shows currently loaded package of your session
    $ module unload <xyz> # unload a particular package <xyz> from your session
    $ module load <xyz>   # load a particular package <xyz> into your session

    will load the intel compiler suite and add variables to your environment. Please do not forget to add the module load statements to your jobs.

    on how to use environment modules go to Using Environment Modules

    Containers

    We can use complex software that is contained in singularity containers (doc) and can be executed on VSC-4. Please consider using one of the following containers:

    • py3centos7anaconda3-2020-07-dev

    located in the $DATA directory of IMGW: /gpfs/data/fs71386/imgw

    How to use?

    Currently there is only one container with a run script.

    # The directory of the containers
    /gpfs/data/fs71386/imgw/run.sh [arguments]
    # executing the python inside
    /gpfs/data/fs71386/imgw/run.sh python 
    # or ipython
    /gpfs/data/fs71386/imgw/run.sh ipython
    # with other arguments
    /gpfs/data/fs71386/imgw/run.sh python analyis.py

    Understanding the container

    In principle, a run script needs to do only 3 things:

    1. load the module singularity
    2. set SINGULARITY_BIND environment variable
    3. execute the container with your arguments

    It is necessary to set the SINGULARITY_BIND because the $HOME and $DATA or $BINFS path are no standard linux paths, therefore the container linux does not know about these and accessing files from within the container is not possible. In the future if you have problems with accessing other paths, adding them to the SINGULARITY_BIND might fix the issue.

    In principe one can execute the container like this:

    # check if the module is loaded
    module load singularity
    # just run the container initiating the builting runscript (running ipython):
    [mblasch@l44 imgw]$ /gpfs/data/fs71386/imgw/py3centos7anaconda3-2020-07-dev.sif 
    Python 3.8.3 (default, Jul  2 2020, 16:21:59) 
    Type 'copyright', 'credits' or 'license' for more information
    IPython 7.16.1 -- An enhanced Interactive Python. Type '?' for help.
    
    In [1]:  
    In [2]: %env DATA
    Out[2]: '/gpfs/data/fs71386/mblasch'
    
    In [3]: ls /gpfs/data/fs71386/mblasch
    ls: cannot access /gpfs/data/fs71386/mblasch: No such file or directory
    # Please note here that the path is not available, because we did not use the SINGULARITY_BIND
    

    What is inside the container?

    In principe you can check what is inside by using

    $ module load singularity
    $ singularity inspect py3centos7anaconda3-2020-07-dev.sif
    author: M.Blaschek
    dist: anaconda2020.07
    glibc: 2.17
    org.label-schema.build-arch: amd64
    org.label-schema.build-date: Thursday_7_October_2021_14:37:23_CEST
    org.label-schema.schema-version: 1.0
    org.label-schema.usage.singularity.deffile.bootstrap: docker
    org.label-schema.usage.singularity.deffile.from: centos:7
    org.label-schema.usage.singularity.deffile.stage: final
    org.label-schema.usage.singularity.version: 3.8.1-1.el8
    os: centos7
    python: 3.8

    which shows you some information on the container, e.g. Centos 7 is installed, python 3.8, and glibc 2.17.

    But you can also check the applications inside

    # List all executables inside the container
    py3centos7anaconda3-2020-07-dev.sif ls /opt/view/bin
    
    # or using conda for the environment
    py3centos7anaconda3-2020-07-dev.sif conda info
    # for the package list
    py3centos7anaconda3-2020-07-dev.sif conda list

    which shows something like this

    ??? note "anaconda environment list"

     ```
     # packages in environment at /opt/software/linux-centos7-haswell/gcc-4.8.5/anaconda3-2020.07-xl53rxqkccbjdufemaupvtuhs3wsj5d2:
     #
     # Name                    Version                   Build  Channel
     _anaconda_depends         2020.07                  py38_0  
     _ipyw_jlab_nb_ext_conf    0.1.0                    py38_0  
     _libgcc_mutex             0.1                 conda_forge    conda-forge
     _openmp_mutex             4.5                       1_gnu    conda-forge
     alabaster                 0.7.12                     py_0  
     alsa-lib                  1.2.3                h516909a_0    conda-forge
     anaconda                  custom                   py38_1  
     anaconda-client           1.7.2                    py38_0  
     anaconda-navigator        1.9.12                   py38_0  
     anaconda-project          0.8.4                      py_0  
     appdirs                   1.4.4              pyh9f0ad1d_0    conda-forge
     argh                      0.26.2                   py38_0  
     asciitree                 0.3.3                      py_2    conda-forge
     asn1crypto                1.3.0                    py38_0  
     astroid                   2.4.2                    py38_0  
     astropy                   4.0.1.post1      py38h7b6447c_1  
     atomicwrites              1.4.0                      py_0  
     attrs                     19.3.0                     py_0  
     autopep8                  1.5.3                      py_0  
     babel                     2.8.0                      py_0  
     backcall                  0.2.0                      py_0  
     backports                 1.0                        py_2  
     backports.functools_lru_cache 1.6.1                      py_0  
     backports.shutil_get_terminal_size 1.0.0                    py38_2  
     backports.tempfile        1.0                        py_1  
     backports.weakref         1.0.post1                  py_1  
     beautifulsoup4            4.9.1                    py38_0  
     bitarray                  1.4.0            py38h7b6447c_0  
     bkcharts                  0.2                      py38_0  
     blas                      1.0                         mkl  
     bleach                    3.1.5                      py_0  
     blosc                     1.21.0               h9c3ff4c_0    conda-forge
     bokeh                     2.1.1                    py38_0  
     boto                      2.49.0                   py38_0  
     bottleneck                1.3.2            py38heb32a55_1  
     brotlipy                  0.7.0           py38h7b6447c_1000  
     bzip2                     1.0.8                h7b6447c_0  
     c-ares                    1.17.2               h7f98852_0    conda-forge
     ca-certificates           2021.7.5             h06a4308_1  
     cached-property           1.5.2                hd8ed1ab_1    conda-forge
     cached_property           1.5.2              pyha770c72_1    conda-forge
     cairo                     1.16.0            h6cf1ce9_1008    conda-forge
     cartopy                   0.20.0           py38hf9a4893_2    conda-forge
     cdo                       1.9.10               h25e7f74_6    conda-forge
     certifi                   2021.5.30        py38h578d9bd_0    conda-forge
     cffi                      1.14.0           py38he30daa8_1  
     cftime                    1.5.1            py38h6c62de6_0    conda-forge
     chardet                   3.0.4                 py38_1003  
     click                     7.1.2                      py_0  
     cloudpickle               1.5.0                      py_0  
     clyent                    1.2.2                    py38_1  
     colorama                  0.4.3                      py_0  
     conda                     4.10.3           py38h578d9bd_2    conda-forge
     conda-build               3.18.11                  py38_0  
     conda-env                 2.6.0                         1  
     conda-package-handling    1.6.1            py38h7b6447c_0  
     conda-verify              3.4.2                      py_1  
     contextlib2               0.6.0.post1                py_0  
     cryptography              2.9.2            py38h1ba5d50_0  
     curl                      7.79.1               h2574ce0_1    conda-forge
     cycler                    0.10.0                   py38_0  
     cython                    0.29.21          py38he6710b0_0  
     cytoolz                   0.10.1           py38h7b6447c_0  
     dask                      2.20.0                     py_0  
     dask-core                 2.20.0                     py_0  
     dbus                      1.13.16              hb2f20db_0  
     decorator                 4.4.2                      py_0  
     defusedxml                0.6.0                      py_0  
     diff-match-patch          20200713                   py_0  
     distributed               2.20.0                   py38_0  
     docutils                  0.16                     py38_1  
     eccodes                   2.23.0               h11d1a29_2    conda-forge
     entrypoints               0.3                      py38_0  
     et_xmlfile                1.0.1                   py_1001  
     expat                     2.4.1                h9c3ff4c_0    conda-forge
     fastcache                 1.1.0            py38h7b6447c_0  
     fasteners                 0.16.3             pyhd3eb1b0_0  
     fftw                      3.3.10          nompi_hcdd671c_101    conda-forge
     filelock                  3.0.12                     py_0  
     flake8                    3.8.3                      py_0  
     flask                     1.1.2                      py_0  
     font-ttf-dejavu-sans-mono 2.37                 hab24e00_0    conda-forge
     font-ttf-inconsolata      3.000                h77eed37_0    conda-forge
     font-ttf-source-code-pro  2.038                h77eed37_0    conda-forge
     font-ttf-ubuntu           0.83                 hab24e00_0    conda-forge
     fontconfig                2.13.1            hba837de_1005    conda-forge
     fonts-conda-ecosystem     1                             0    conda-forge
     fonts-conda-forge         1                             0    conda-forge
     freeglut                  3.2.1                h9c3ff4c_2    conda-forge
     freetype                  2.10.4               h0708190_1    conda-forge
     fribidi                   1.0.10               h516909a_0    conda-forge
     fsspec                    0.7.4                      py_0  
     future                    0.18.2                   py38_1  
     geos                      3.9.1                h9c3ff4c_2    conda-forge
     get_terminal_size         1.0.0                haa9412d_0  
     gettext                   0.21.0               hf68c758_0  
     gevent                    20.6.2           py38h7b6447c_0  
     glib                      2.68.4               h9c3ff4c_0    conda-forge
     glib-tools                2.68.4               h9c3ff4c_0    conda-forge
     glob2                     0.7                        py_0  
     gmp                       6.1.2                h6c8ec71_1  
     gmpy2                     2.0.8            py38hd5f6e3b_3  
     graphite2                 1.3.14               h23475e2_0  
     greenlet                  0.4.16           py38h7b6447c_0  
     gst-plugins-base          1.18.5               hf529b03_0    conda-forge
     gstreamer                 1.18.5               h76c114f_0    conda-forge
     h5netcdf                  0.11.0             pyhd8ed1ab_0    conda-forge
     h5py                      3.4.0           nompi_py38hfbb2109_101    conda-forge
     harfbuzz                  3.0.0                h83ec7ef_1    conda-forge
     hdf4                      4.2.15               h10796ff_3    conda-forge
     hdf5                      1.12.1          nompi_h2750804_101    conda-forge
     heapdict                  1.0.1                      py_0  
     html5lib                  1.1                        py_0  
     icu                       68.1                 h58526e2_0    conda-forge
     idna                      2.10                       py_0  
     imageio                   2.9.0                      py_0  
     imagesize                 1.2.0                      py_0  
     importlib-metadata        1.7.0                    py38_0  
     importlib_metadata        1.7.0                         0  
     importlib_resources       5.2.2              pyhd8ed1ab_0    conda-forge
     intel-openmp              2020.1                      217  
     intervaltree              3.0.2                      py_1  
     ipykernel                 5.3.2            py38h5ca1d4c_0  
     ipython                   7.16.1           py38h5ca1d4c_0  
     ipython_genutils          0.2.0                    py38_0  
     ipywidgets                7.5.1                      py_0  
     isort                     4.3.21                   py38_0  
     itsdangerous              1.1.0                      py_0  
     jasper                    2.0.14               ha77e612_2    conda-forge
     jbig                      2.1                  hdba287a_0  
     jdcal                     1.4.1                      py_0  
     jedi                      0.17.1                   py38_0  
     jeepney                   0.4.3                      py_0  
     jinja2                    2.11.2                     py_0  
     joblib                    0.16.0                     py_0  
     jpeg                      9d                   h516909a_0    conda-forge
     json5                     0.9.5                      py_0  
     jsonschema                3.2.0                    py38_0  
     jupyter                   1.0.0                    py38_7  
     jupyter_client            6.1.6                      py_0  
     jupyter_console           6.1.0                      py_0  
     jupyter_core              4.6.3                    py38_0  
     jupyterlab                2.1.5                      py_0  
     jupyterlab_server         1.2.0                      py_0  
     keyring                   21.2.1                   py38_0  
     kiwisolver                1.2.0            py38hfd86e86_0  
     krb5                      1.19.2               hcc1bbae_0    conda-forge
     lazy-object-proxy         1.4.3            py38h7b6447c_0  
     lcms2                     2.11                 h396b838_0  
     ld_impl_linux-64          2.33.1               h53a641e_7  
     lerc                      2.2.1                h9c3ff4c_0    conda-forge
     libaec                    1.0.6                h9c3ff4c_0    conda-forge
     libarchive                3.5.2                hccf745f_1    conda-forge
     libblas                   3.9.0           1_h86c2bf4_netlib    conda-forge
     libcblas                  3.9.0           5_h92ddd45_netlib    conda-forge
     libclang                  11.1.0          default_ha53f305_1    conda-forge
     libcurl                   7.79.1               h2574ce0_1    conda-forge
     libdeflate                1.7                  h7f98852_5    conda-forge
     libedit                   3.1.20191231         h14c3975_1  
     libev                     4.33                 h516909a_1    conda-forge
     libevent                  2.1.10               h9b69904_4    conda-forge
     libffi                    3.3                  he6710b0_2  
     libgcc-ng                 11.2.0               h1d223b6_9    conda-forge
     libgfortran-ng            11.2.0               h69a702a_9    conda-forge
     libgfortran5              11.2.0               h5c6108e_9    conda-forge
     libglib                   2.68.4               h3e27bee_0    conda-forge
     libglu                    9.0.0             he1b5a44_1001    conda-forge
     libgomp                   11.2.0               h1d223b6_9    conda-forge
     libiconv                  1.16                 h516909a_0    conda-forge
     liblapack                 3.9.0           5_h92ddd45_netlib    conda-forge
     liblief                   0.10.1               he6710b0_0  
     libllvm11                 11.1.0               hf817b99_2    conda-forge
     libllvm9                  9.0.1                h4a3c616_1  
     libnetcdf                 4.8.1           nompi_hb3fd0d9_101    conda-forge
     libnghttp2                1.43.0               h812cca2_1    conda-forge
     libogg                    1.3.5                h27cfd23_1  
     libopus                   1.3.1                h7f98852_1    conda-forge
     libpng                    1.6.37               hbc83047_0  
     libpq                     13.3                 hd57d9b9_0    conda-forge
     libsodium                 1.0.18               h7b6447c_0  
     libsolv                   0.7.16               h8b12597_0    conda-forge
     libspatialindex           1.9.3                he6710b0_0  
     libssh2                   1.10.0               ha56f1ee_2    conda-forge
     libstdcxx-ng              11.2.0               he4da1e4_9    conda-forge
     libtiff                   4.3.0                hf544144_1    conda-forge
     libtool                   2.4.6                h7b6447c_5  
     libuuid                   2.32.1            h14c3975_1000    conda-forge
     libvorbis                 1.3.7                he1b5a44_0    conda-forge
     libwebp-base              1.2.1                h7f98852_0    conda-forge
     libxcb                    1.14                 h7b6447c_0  
     libxkbcommon              1.0.3                he3ba5ed_0    conda-forge
     libxml2                   2.9.12               h72842e0_0    conda-forge
     libxslt                   1.1.33               h15afd5d_2    conda-forge
     libzip                    1.8.0                h4de3113_1    conda-forge
     libzlib                   1.2.11            h36c2ea0_1013    conda-forge
     llvmlite                  0.33.0           py38hc6ec683_1  
     locket                    0.2.0                    py38_1  
     lxml                      4.6.3            py38hf1fe3a4_0    conda-forge
     lz4-c                     1.9.3                h9c3ff4c_1    conda-forge
     lzo                       2.10                 h7b6447c_2  
     magics                    4.9.1                hb6e17df_1    conda-forge
     magics-python             1.5.6              pyhd8ed1ab_0    conda-forge
     mamba                     0.5.1            py38h6fd9b40_0    conda-forge
     markupsafe                1.1.1            py38h7b6447c_0  
     matplotlib                3.4.3            py38h578d9bd_1    conda-forge
     matplotlib-base           3.4.3            py38hf4fb855_0    conda-forge
     mccabe                    0.6.1                    py38_1  
     metpy                     1.1.0              pyhd8ed1ab_0    conda-forge
     mistune                   0.8.4           py38h7b6447c_1000  
     mkl                       2020.1                      217  
     mkl-service               2.3.0            py38he904b0f_0  
     mkl_fft                   1.1.0            py38h23d657b_0  
     mkl_random                1.1.1            py38h0573a6f_0  
     mock                      4.0.2                      py_0  
     more-itertools            8.4.0                      py_0  
     mpc                       1.1.0                h10f8cd9_1  
     mpfr                      4.0.2                hb69a4c5_1  
     mpmath                    1.1.0                    py38_0  
     msgpack-python            1.0.0            py38hfd86e86_1  
     multipledispatch          0.6.0                    py38_0  
     mysql-common              8.0.25               ha770c72_2    conda-forge
     mysql-libs                8.0.25               hfa10184_2    conda-forge
     navigator-updater         0.2.1                    py38_0  
     nbconvert                 5.6.1                    py38_0  
     nbformat                  5.0.7                      py_0  
     ncurses                   6.2                  he6710b0_1  
     netcdf4                   1.5.7           nompi_py38h2823cc8_103    conda-forge
     networkx                  2.4                        py_1  
     nltk                      3.5                        py_0  
     nose                      1.3.7                    py38_2  
     notebook                  6.0.3                    py38_0  
     nspr                      4.30                 h9c3ff4c_0    conda-forge
     nss                       3.69                 hb5efdd6_1    conda-forge
     numba                     0.50.1           py38h0573a6f_1  
     numcodecs                 0.9.1            py38h709712a_0    conda-forge
     numexpr                   2.7.1            py38h423224d_0  
     numpy                     1.19.2           py38h54aff64_0  
     numpy-base                1.19.2           py38hfa32c7d_0  
     numpydoc                  1.1.0                      py_0  
     olefile                   0.46                       py_0  
     openpyxl                  3.0.4                      py_0  
     openssl                   1.1.1l               h7f98852_0    conda-forge
     ossuuid                   1.6.2             hf484d3e_1000    conda-forge
     packaging                 20.4                       py_0  
     pandas                    1.0.5            py38h0573a6f_0  
     pandoc                    2.10                          0  
     pandocfilters             1.4.2                    py38_1  
     pango                     1.48.10              h54213e6_2    conda-forge
     parso                     0.7.0                      py_0  
     partd                     1.1.0                      py_0  
     patchelf                  0.11                 he6710b0_0  
     path                      13.1.0                   py38_0  
     path.py                   12.4.0                        0  
     pathlib2                  2.3.5                    py38_0  
     pathtools                 0.1.2                      py_1  
     patsy                     0.5.1                    py38_0  
     pcre                      8.45                 h9c3ff4c_0    conda-forge
     pep8                      1.7.1                    py38_0  
     pexpect                   4.8.0                    py38_0  
     pickleshare               0.7.5                 py38_1000  
     pillow                    7.2.0            py38hb39fc2d_0  
     pint                      0.17               pyhd8ed1ab_1    conda-forge
     pip                       20.1.1                   py38_1  
     pixman                    0.40.0               h7b6447c_0  
     pkginfo                   1.5.0.1                  py38_0  
     pluggy                    0.13.1                   py38_0  
     ply                       3.11                     py38_0  
     pooch                     1.5.1              pyhd8ed1ab_0    conda-forge
     proj                      8.1.1                h277dcde_2    conda-forge
     prometheus_client         0.8.0                      py_0  
     prompt-toolkit            3.0.5                      py_0  
     prompt_toolkit            3.0.5                         0  
     psutil                    5.7.0            py38h7b6447c_0  
     ptyprocess                0.6.0                    py38_0  
     py                        1.9.0                      py_0  
     py-lief                   0.10.1           py38h403a769_0  
     pycodestyle               2.6.0                      py_0  
     pycosat                   0.6.3            py38h7b6447c_1  
     pycparser                 2.20                       py_2  
     pycurl                    7.43.0.5         py38h1ba5d50_0  
     pydocstyle                5.0.2                      py_0  
     pyflakes                  2.2.0                      py_0  
     pygments                  2.6.1                      py_0  
     pylint                    2.5.3                    py38_0  
     pyodbc                    4.0.30           py38he6710b0_0  
     pyopenssl                 19.1.0                     py_1  
     pyparsing                 2.4.7                      py_0  
     pyproj                    3.2.1            py38h80797bf_2    conda-forge
     pyqt                      5.12.3           py38h578d9bd_7    conda-forge
     pyqt-impl                 5.12.3           py38h7400c14_7    conda-forge
     pyqt5-sip                 4.19.18          py38h709712a_7    conda-forge
     pyqtchart                 5.12             py38h7400c14_7    conda-forge
     pyqtwebengine             5.12.1           py38h7400c14_7    conda-forge
     pyrsistent                0.16.0           py38h7b6447c_0  
     pyshp                     2.1.3              pyh44b312d_0    conda-forge
     pysocks                   1.7.1                    py38_0  
     pytables                  3.6.1            py38hdb04529_4    conda-forge
     pytest                    5.4.3                    py38_0  
     python                    3.8.3                hcff3b4d_2  
     python-dateutil           2.8.1                      py_0  
     python-jsonrpc-server     0.3.4                      py_1  
     python-language-server    0.34.1                   py38_0  
     python-libarchive-c       2.9                        py_0  
     python_abi                3.8                      2_cp38    conda-forge
     pytz                      2020.1                     py_0  
     pywavelets                1.1.1            py38h7b6447c_0  
     pyxdg                     0.26                       py_0  
     pyyaml                    5.3.1            py38h7b6447c_1  
     pyzmq                     19.0.1           py38he6710b0_1  
     qdarkstyle                2.8.1                      py_0  
     qt                        5.12.9               hda022c4_4    conda-forge
     qtawesome                 0.7.2                      py_0  
     qtconsole                 4.7.5                      py_0  
     qtpy                      1.9.0                      py_0  
     readline                  8.1                  h46c0cb4_0    conda-forge
     regex                     2020.6.8         py38h7b6447c_0  
     requests                  2.24.0                     py_0  
     ripgrep                   11.0.2               he32d670_0  
     rope                      0.17.0                     py_0  
     rtree                     0.9.4                    py38_1  
     ruamel_yaml               0.15.87          py38h7b6447c_1  
     scikit-image              0.16.2           py38h0573a6f_0  
     scikit-learn              0.23.1           py38h423224d_0  
     scipy                     1.7.1            py38h56a6a73_0    conda-forge
     seaborn                   0.10.1                     py_0  
     secretstorage             3.1.2                    py38_0  
     send2trash                1.5.0                    py38_0  
     setuptools                49.2.0                   py38_0  
     shapely                   1.7.1            py38hb7fe4a8_5    conda-forge
     simplegeneric             0.8.1                    py38_2  
     simplejson                3.17.5           py38h497a2fe_0    conda-forge
     singledispatch            3.4.0.3                  py38_0  
     sip                       4.19.13          py38he6710b0_0  
     six                       1.15.0                     py_0  
     snappy                    1.1.8                he6710b0_0  
     snowballstemmer           2.0.0                      py_0  
     sortedcollections         1.2.1                      py_0  
     sortedcontainers          2.2.2                      py_0  
     soupsieve                 2.0.1                      py_0  
     sphinx                    3.1.2                      py_0  
     sphinxcontrib             1.0                      py38_1  
     sphinxcontrib-applehelp   1.0.2                      py_0  
     sphinxcontrib-devhelp     1.0.2                      py_0  
     sphinxcontrib-htmlhelp    1.0.3                      py_0  
     sphinxcontrib-jsmath      1.0.1                      py_0  
     sphinxcontrib-qthelp      1.0.3                      py_0  
     sphinxcontrib-serializinghtml 1.1.4                      py_0  
     sphinxcontrib-websupport  1.2.3                      py_0  
     spyder                    4.1.4                    py38_0  
     spyder-kernels            1.9.2                    py38_0  
     sqlalchemy                1.3.18           py38h7b6447c_0  
     sqlite                    3.36.0               h9cd32fc_2    conda-forge
     statsmodels               0.11.1           py38h7b6447c_0  
     sympy                     1.6.1                    py38_0  
     tbb                       2020.0               hfd86e86_0  
     tblib                     1.6.0                      py_0  
     terminado                 0.8.3                    py38_0  
     testpath                  0.4.4                      py_0  
     threadpoolctl             2.1.0              pyh5ca1d4c_0  
     tk                        8.6.10               hbc83047_0  
     toml                      0.10.1                     py_0  
     toolz                     0.10.0                     py_0  
     tornado                   6.0.4            py38h7b6447c_1  
     tqdm                      4.47.0                     py_0  
     traitlets                 4.3.3                    py38_0    conda-forge
     typing_extensions         3.7.4.2                    py_0  
     udunits2                  2.2.27.27            hc3e0081_2    conda-forge
     ujson                     1.35             py38h7b6447c_0  
     unicodecsv                0.14.1                   py38_0  
     unixodbc                  2.3.7                h14c3975_0  
     urllib3                   1.25.9                     py_0  
     watchdog                  0.10.3                   py38_0  
     wcwidth                   0.2.5                      py_0  
     webencodings              0.5.1                    py38_1  
     werkzeug                  1.0.1                      py_0  
     wheel                     0.34.2                   py38_0  
     widgetsnbextension        3.5.1                    py38_0  
     wrapt                     1.11.2           py38h7b6447c_0  
     wurlitzer                 2.0.1                    py38_0  
     xarray                    0.19.0             pyhd8ed1ab_1    conda-forge
     xlrd                      1.2.0                      py_0  
     xlsxwriter                1.2.9                      py_0  
     xlwt                      1.3.0                    py38_0  
     xmltodict                 0.12.0                     py_0  
     xorg-fixesproto           5.0               h14c3975_1002    conda-forge
     xorg-inputproto           2.3.2             h14c3975_1002    conda-forge
     xorg-kbproto              1.0.7             h14c3975_1002    conda-forge
     xorg-libice               1.0.10               h516909a_0    conda-forge
     xorg-libsm                1.2.3             hd9c2040_1000    conda-forge
     xorg-libx11               1.7.2                h7f98852_0    conda-forge
     xorg-libxau               1.0.9                h14c3975_0    conda-forge
     xorg-libxext              1.3.4                h7f98852_1    conda-forge
     xorg-libxfixes            5.0.3             h7f98852_1004    conda-forge
     xorg-libxi                1.7.10               h7f98852_0    conda-forge
     xorg-libxrender           0.9.10            h7f98852_1003    conda-forge
     xorg-renderproto          0.11.1            h14c3975_1002    conda-forge
     xorg-xextproto            7.3.0             h14c3975_1002    conda-forge
     xorg-xproto               7.0.31            h14c3975_1007    conda-forge
     xz                        5.2.5                h7b6447c_0  
     yaml                      0.2.5                h7b6447c_0  
     yapf                      0.30.0                     py_0  
     zarr                      2.10.1             pyhd8ed1ab_0    conda-forge
     zeromq                    4.3.2                he6710b0_2  
     zict                      2.0.0                      py_0  
     zipp                      3.1.0                      py_0  
     zlib                      1.2.11            h36c2ea0_1013    conda-forge
     zope                      1.0                      py38_1  
     zope.event                4.4                      py38_0  
     zope.interface            4.7.1            py38h7b6447c_0  
     zstd                      1.5.0                ha95c52a_0    conda-forge
     ```

    Import user-site packages

    It is possible to install user site packages into your .local/lib/python3.* directory:

    # installing a user site package
    /gpfs/data/fs71386/imgw/run.sh pip install --user [package]
    import sys, site
    sys.path.append(site.site.getusersitepackages())
    # This will add the correct path.

    Then you will be able to load all packages that are located in the user site.

    Debugging on VSC-4

    Currently (6.2021) there is no development queue on VSC-4 and the support suggested to do the following:

    # Request resources from slurm (-N 1, a full Node)
    $ salloc -N 1 -p mem_0384 --qos p71386_0384 --no-shell
    # Once the node is assigned / job is running
    # Check with
    $ squeue -u $USER
    # connect to the Node with ssh
    $ ssh [Node]
    # test and debug the model there.