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NERSC_Installation_notes.md

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The purpose of this document is to provide you with a step-by-step tutorial for installing ALPSCore and additional libraries you might need for your solver, in this case on NERSC Cray machines, for example, on Cori.

Here we assume that:

  1. You have an access to the machine.
  2. You use bash shell.
  3. You have access to the GitHub repositories with the codes.
  4. You are fine to use the default Cray development environment: compiler, linear algebra library, and MPI library.

Let's begin!

1. Prepare the directory structure and load the necessary software modules

  1. First of all, load the necessary modules for CMake, Boost, HDF5, and FFTW3.
$ module add cmake boost cray-hdf5 fftw

and declare C and C++ compilers to be used:

$ export CC=$(which cc)
$ export CXX=$(which CC)
  1. It is convenient to decide where you will download, build and install the software. For example, it can be somewhere in your home directory, on in a "scratch" directory (pointed by environment variable SCRATCH on Cori), or in your project directory.

You may be able to find the names of your project directories by the following command:

$ (for f in $(id -Gn); do d=/global/project/projectdirs/$f; [ -r $d ] && [ -w $d ] && [ -x $d ] && ls -ld $d; done)
  1. So, let's assume your project directory name is /global/project/projectdirs/m1234567 and it is in its subdirectory we want to install the code. Let's put this directory name in a shell variable my_base_dir, for convenience, and make sure that the directory is created.
$ my_base_dir=/global/project/projectdirs/m1234567/$USER/alpscore_stuff
$ mkdir -pv $my_base_dir
  1. Assign the directories for source, build and installation.
    • ALPSCore directories: Note that ALPSCore_DIR variable must be exported and must point to the directory where ALPSCore is to be installed.
    $ alpscore_src=$my_base_dir/ALPSCore
$ alpscore_build=$alpscore_src/000build
$ export ALPSCore_DIR=$my_base_dir/install
    • NFFT3 directories:
    $ nfft3_src=$my_base_dir/nfft3
$ export NFFT3_DIR=$my_base_dir/install/nfft3

2. Download and install ALPSCore

(See ALPSCore installation Wiki page for details.)

Download:

$ git clone https://github.com/ALPSCore/ALPSCore.git $alpscore_src

Build and install. Note that on Cray we have to compile ALPSCore statically:

$ mkdir -pv $alpscore_build
$ cd $alpscore_build
$ cmake $alpscore_src -DALPS_BUILD_TYPE=static -DCMAKE_INSTALL_PREFIX=$ALPSCore_DIR
$ make -j4
$ make install

Verify that installation is successful:

$ (cd $ALPSCore_DIR/lib && ls -1 libalps*)

should produce the output like this:

libalps-accumulators.a
libalps-gf.a
libalps-hdf5.a
libalps-mc.a
libalps-params.a
libalps-utilities.a

3. Download and install NFFT3

Download NFFT3 library from https://www-user.tu-chemnitz.de/~potts/nfft/ and unpack it.

$ mkdir -pv $nfft3_src
$ cd $nfft3_src
$ wget https://www-user.tu-chemnitz.de/~potts/nfft/download/nfft-3.3.2.tar.gz
$ tar -xzf nfft-3.3.2.tar.gz

Prepare the build. Note that we have to inform NFFT3 of the location of the FFTW3 library, and also we disable the generation of the shared libraries.

$ cd nfft-3.3.2/
$ ./configure --prefix=$NFFT3_DIR CC=$CC --with-fftw3=$FFTW_DIR/.. --enable-shared=no --enable-static=yes

Unfortunately, there seems to be a bug either in GNU Autotools or in NFFT3: the configure script generates spurious link arguments that will cause the build to fail. We have to fix it and regenerate the build:

$ sed -e 's/-lne required -lm//' <config.status >config.status.fixed
$ make distclean
$ cp config.status.fixed config.status
$ chmod +x config.status
$ ./config.status

Then build and install:

$ make -j4
$ make install

Verify that installation is successful:

$ (cd $NFFT3_DIR && ls -1dF lib/* include/*)

should produce the output like this:

include/nfft3.h
include/nfft3mp.h
lib/libnfft3.a
lib/libnfft3.la*
lib/pkgconfig/