Added conda env and job script for DGX-2.

conda_environment_hpc.yml

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+# Assumes that conda, pip, build-essentials and cuda are installed
+---
+name: ShallowWaterGPU_HPC
+channels:
+- conda-forge
+
+dependencies:
+- python=3.7
+- numpy
+- mpi4py
+- six
+- pytools
+- netcdf4
+- scipy
+
+# Install conda environment (one-time operation):
+# $ conda env create -f conda_environment_hpc.yml
+# Activate environment and install the following packages using pip:
+# $ conda activate ShallowWaterGPU
+#  - pycuda: $ pip3 install --no-deps -U pycuda
+# on Windows: make sure your visual studio c++ compiler is available in PATH
+# PATH should have something like C:\Program Files (x86)\Microsoft Visual Studio 14.0\VC\bin\

dgx-2-test.job

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+#!/bin/bash
+#SBATCH -p dgx2q                   # partition (GPU queue)
+#SBATCH -N 1                       # number of nodes
+#SBATCH -n 4                       # number of cores
+#SBATCH -w g001                    # DGX-2 node
+#SBATCH --gres=gpu:4               # number of V100's
+#SBATCH --mem 10G                  # memory pool for all cores
+#SBATCH -t 0-00:10                 # time (D-HH:MM)
+#SBATCH -o slurm.%N.%j.out  # STDOUT
+#SBATCH -e slurm.%N.%j.err  # STDERR
+
+ulimit -s 10240
+module load slurm 
+module load openmpi/4.0.1
+
+# Check how many gpu's your job got
+#nvidia-smi
+
+# Run job
+cd /home/martinls/src/ShallowWaterGPU
+mpirun --mca btl_openib_if_include mlx5_0 --mca btl_openib_warn_no_device_params_found 0 /home/martinls/miniconda3/envs/ShallowWaterGPU_HPC/bin/python3 mpiTesting.py
+