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scripts for intel pearls book
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contrib/xeonphi/README
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contrib/xeonphi/README
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script for building the nwchem source tarball for the book
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High Performance Parallelism Pearls: Multicore and Many-core Programming Approaches
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contrib/xeonphi/build4xeonphi.sh
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contrib/xeonphi/build4xeonphi.sh
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#!/bin/bash -f
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cd nwchem-6.5
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export NWCHEM_TOP=`pwd`
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export NWCHEM_TARGET=LINUX64
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export USE_MPI=y
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export USE_OPENMP=y
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export USE_OFFLOAD=y
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export NWCHEM_MODULES=tce
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export BLASOPT=-mkl
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export BLAS_SIZE=8
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cd src
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pwd
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make nwchem_config NWCHEM_MODULES="tce"
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make FC=ifort
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contrib/xeonphi/dotar.sh
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contrib/xeonphi/dotar.sh
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mkdir -p nwchem-6.5
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cd nwchem-6.5
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svn checkout --non-recursive https://svn.pnl.gov/svn/nwchem/branches/release-6-5-patches/src
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cd src
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svn update \
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property \
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config \
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rimp2 \
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moints \
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include \
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blas \
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lapack \
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tools \
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peigs \
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perfm \
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optim \
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basis \
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geom \
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inp \
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input \
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pstat \
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rtdb \
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task \
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symmetry \
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bq \
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cons \
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NWints \
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atomscf \
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gradients \
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nwdft \
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nwxc \
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stepper \
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driver \
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hessian \
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vib \
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mp2_grad \
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util \
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ddscf \
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tce
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cd tools
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./get-tools
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cd ..
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cp build4xeonphi.sh nwchem-6.5
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tar --exclude=.svn -cf nwchem-6.5.xeonphi.tar nwchem-6.5/*
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gzip nwchem-6.5.xeonphi.tar
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