Commit bea2958c authored by Marco Govoni's avatar Marco Govoni
Browse files

Added midway installation doc

parent a54d0105
.. _theta:
===============
Midway-UChicago
===============
Midway is the HPC cluster of the University of Chicago, maintained by UChicago's `RCC <https://rcc.uchicago.edu/>`_.
.. code-block:: bash
$ ssh -XY <username>@midway.rcc.uchicago.edu
Building WEST
~~~~~~~~~~~~~
WEST executables can be compiled using the following script:
.. code-block:: bash
$ cat build_midway.sh
#!/bin/bash
module load intelmpi/5.1+intel-16.0 mkl/2017.up4 Anaconda3/5.1.0
export F77=mpiifort
export CC=mpiicc
export MPIF90=mpiifort
export FC=mpiifort
export CFLAGS="-O3 -xHost -fno-alias -ansi-alias -g -mkl -Bdynamic"
export FFLAGS="-O3 -xHost -fno-alias -ansi-alias -g -mkl -Bdynamic"
export BLAS_LIBS_SWITCH="external"
export BLAS_LIBS=" -lmkl_intel_lp64 -lmkl_sequential -lmkl_core"
export LAPACK_LIBS_SWITCH="external"
export LAPACK_LIBS=" "
export SCALAPACK_LIBS=" -lmkl_scalapack_lp64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -Wl,--end-group"
./configure --enable-parallel --with-scalapack --enable-openmp LD_LIBS="`python3-config --ldflags`"
make -j 8 pw
cd West
make
Running WEST Jobs
~~~~~~~~~~~~~~~~~
The following is an example executable script `run_west.sh` to run the `wstat.x` WEST executable on two nodes of the `broadwl` partition with 28 MPI ranks per node.
.. code-block:: bash
$ cat run_west.sh
#!/bin/bash
#SBATCH --time=00:30:00
#SBATCH --partition=broadwl
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=28
#SBATCH --cpus-per-task=1
module load intelmpi/5.1+intel-16.0 mkl/2017.up4 Anaconda3/5.1.0
export OMP_NUM_THREADS=$SLURM_CPUS_ON_NODE
NTASKS=$(($SLURM_NTASKS_PER_NODE * $SLURM_JOB_NUM_NODES))
mpirun -np $NTASKS ./wstat.x -i wstat.in > wstat.out
Job submission is done with the following:
.. code-block:: bash
$ sbatch run_west.sh
.. seealso::
For more information, visit the RCC user guide (`https://rcc.uchicago.edu/docs/ <https://rcc.uchicago.edu/docs/>`_).
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