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PBS setup for Titan
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examples/pbs.cmd

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#!/bin/bash
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#PBS -A FUS117
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#PBS -l walltime=0:05:00
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#PBS -l nodes=2
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##PBS -l procs=1
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##PBS -l gres=atlas1%atlas2
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#Cannot see home folder, will just hang until wall limit
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export HOME=/ccs/proj/fus117/
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cd $HOME/PPPL/plasma-python/examples
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source $MODULESHOME/init/bash
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module switch PrgEnv-pgi PrgEnv-gnu
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module load cudatoolkit
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export LIBRARY_PATH=/opt/nvidia/cudatoolkit7.5/7.5.18-1.0502.10743.2.1/lib64:$LIBRARY_PATH
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#This block is CuDNN module
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export LD_LIBRARY_PATH=$HOME/cuda/lib64:$LD_LIBRARY_PATH
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export LIBRARY_PATH=$HOME/cuda/lib64:$LIBRARY_PATH
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export LDFLAGS=$LDFLAGS:$HOME/cuda/lib64
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export INCLUDE=$INCLUDE:$HOME/cuda/include
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export CPATH=$CPATH:$HOME/cuda/include
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export FFLAGS=$FFLAGS:$HOME/cuda/include
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export LOCAL_LDFLAGS=$LOCAL_LDFLAGS:$HOME/cuda/lib64
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export LOCAL_INCLUDE=$LOCAL_INCLUDE:$HOME/cuda/include
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export LOCAL_CFLAGS=$LOCAL_CFLAGS:$HOME/cuda/include
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export LOCAL_FFLAGS=$LOCAL_FFLAGS:$HOME/cuda/include
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export LOCAL_CXXFLAGS=$LOCAL_CXXFLAGS:$HOME/cuda/include
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#This sets new home and Anaconda module
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export PATH=$HOME/anaconda2/bin:$PATH
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export LD_LIBRARY_PATH=$HOME/anaconda2/lib:$LD_LIBRARY_PATH
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source activate PPPL
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PYTHON=`which python`
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echo $PYTHON
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#pygpu backend
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#export CPATH=$CPATH:~/.local/include
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#export LIBRARY_PATH=$LIBRARY_PATH:~/.local/lib
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#export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:~/.local/lib
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export LD_LIBRARY_PATH=$CRAY_LD_LIBRARY_PATH:$LD_LIBRARY_PATH
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export MPICH_RDMA_ENABLED_CUDA=1
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rm $HOME/tigress/alexeys/model_checkpoints/*
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aprun -n2 -N1 $PYTHON mpi_learn.py

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