From 5c625f9b84200e1073377fb33a767591727cccfd Mon Sep 17 00:00:00 2001 From: Edoardo Apra Date: Wed, 15 Oct 2014 01:11:17 +0000 Subject: [PATCH] scripts for intel pearls book --- contrib/xeonphi/README | 3 +++ contrib/xeonphi/build4xeonphi.sh | 14 ++++++++++ contrib/xeonphi/dotar.sh | 46 ++++++++++++++++++++++++++++++++ 3 files changed, 63 insertions(+) create mode 100644 contrib/xeonphi/README create mode 100755 contrib/xeonphi/build4xeonphi.sh create mode 100644 contrib/xeonphi/dotar.sh diff --git a/contrib/xeonphi/README b/contrib/xeonphi/README new file mode 100644 index 0000000000..5244f29eef --- /dev/null +++ b/contrib/xeonphi/README @@ -0,0 +1,3 @@ +script for building the nwchem source tarball for the book + +High Performance Parallelism Pearls: Multicore and Many-core Programming Approaches diff --git a/contrib/xeonphi/build4xeonphi.sh b/contrib/xeonphi/build4xeonphi.sh new file mode 100755 index 0000000000..45d962b0c8 --- /dev/null +++ b/contrib/xeonphi/build4xeonphi.sh @@ -0,0 +1,14 @@ +#!/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 diff --git a/contrib/xeonphi/dotar.sh b/contrib/xeonphi/dotar.sh new file mode 100644 index 0000000000..54289068b9 --- /dev/null +++ b/contrib/xeonphi/dotar.sh @@ -0,0 +1,46 @@ +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 +