scripts for intel pearls book

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Edoardo Apra 2014-10-15 01:11:17 +00:00
parent f2bf5001b3
commit 5c625f9b84
3 changed files with 63 additions and 0 deletions

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contrib/xeonphi/README Normal file
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script for building the nwchem source tarball for the book
High Performance Parallelism Pearls: Multicore and Many-core Programming Approaches

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#!/bin/bash -f
cd nwchem-6.5
export NWCHEM_TOP=`pwd`
export NWCHEM_TARGET=LINUX64
export USE_MPI=y
export USE_OPENMP=y
export USE_OFFLOAD=y
export NWCHEM_MODULES=tce
export BLASOPT=-mkl
export BLAS_SIZE=8
cd src
pwd
make nwchem_config NWCHEM_MODULES="tce"
make FC=ifort

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contrib/xeonphi/dotar.sh Normal file
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mkdir -p nwchem-6.5
cd nwchem-6.5
svn checkout --non-recursive https://svn.pnl.gov/svn/nwchem/branches/release-6-5-patches/src
cd src
svn update \
property \
config \
rimp2 \
moints \
include \
blas \
lapack \
tools \
peigs \
perfm \
optim \
basis \
geom \
inp \
input \
pstat \
rtdb \
task \
symmetry \
bq \
cons \
NWints \
atomscf \
gradients \
nwdft \
nwxc \
stepper \
driver \
hessian \
vib \
mp2_grad \
util \
ddscf \
tce
cd tools
./get-tools
cd ..
cp build4xeonphi.sh nwchem-6.5
tar --exclude=.svn -cf nwchem-6.5.xeonphi.tar nwchem-6.5/*
gzip nwchem-6.5.xeonphi.tar