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INSTALL.md

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Quick installation guide

Clone the github repo (devel branch recommended for now).

Create a separate build directory (optional but recommended).

From the build directory run the configure script found with the source.

NIM=/path/to/nim \
path/to/qex/configure \
  qmpdir:/path/to/qmp \
  qiodir:/path/to/qio

More options for configure are below.

If the nim executable isn't found in your path, or specified in the NIM environment variable, it will be installed as described below.

The configure command will create the files Makefile and qexconfig.nims in the current directory. It will also create the symlinks qex and qex.nimble.

Check the Nim executable path in Makefile and the settings in qexconfig.nims, and edit if necessary.

Try compiling a simple example:

make testStagProp

The resulting binary will be in the directory ./bin.

Then run it

bin/testStagProp

Nim installation

QEX requires the Nim compiler version 1.4 or later (1.6.4 or later recommended).

The configure script will search for the Nim executable in the following places in order (using the findNim script)

  • $PATH (using which nim)
  • $HOME/bin/nim
  • $HOME/bin/nim-[0-9]*
  • $HOME/bin/nim-*
  • $HOME/nim/Nim/bin/nim
  • $HOME/nim/Nim-[0-9]*/bin/nim
  • $HOME/nim/Nim-*/bin/nim

If Nim is not found, it will be installed using the installNim script.

You can install Nim yourself either by using the installNim script directly, or from the official instructions given on the Nim website.

installNim defaults to downloading and building Nim into $HOME/nim with a symlink added to $HOME/bin. These can be overridden by setting the environment variables

  • NIMDIR directory to place Nim source and build (default $HOME/nim)
  • BINDIR directory to place symlinks (default $HOME/bin)

These will be necessary to set when on a system with a shared home directory across different host (build) architectures to keep separate copies of Nim.

By default installNim installs the latest stable version of Nim. You can also specify a version, e.g. installNim 1.6.4 for version 1.6.4, or installNim devel to install the current devel branch.

You can also switch the symlinks between different (previously installed) versions of Nim with e.g. installNim default 1.6.4 or installNim default devel. You should be able to check which version of Nim is default with nim -v.

installNim with no options will also give a help message.

Required dependencies

QMP and QIO are currently required and need to be installed separately. The bootstrap-travis script can also be used to install them.

The QMP and QIO directories can be set in configure with the environment variables QMPDIR and QIODIR. One can also specify them as arguments to configure (see below ).

The other required dependencies can be installed by running nimble install -dy. Nimble is the Nim package manager which is used to install Nim dependencies. Nimble is also installed (with a symlink in $BINDIR) by the installNim script. The list of required packages that Nimble installs is in the qex.nimble file.

Optional dependencies

For Chroma set

  • chromaDir

For Grid set

  • gridDir

For QUDA set

  • qudaDir
  • cudaLibDir

For Primme set

  • primmeDir

Compiler and configuration options

Compiler, linker and other configuration options can be passed as arguments to configure like:

path/to/qex/configure \
  qmpdir:/path/to/qmp \
  qiodir:/path/to/qio \
  cc:"mpicc" \
  cflagsspeed:"-Ofast -march=skylake-avx512 -ffast-math" \
  cpp:"mpicxx" \
  cppflagsspeed:"-Ofast -march=skylake-avx512 -ffast-math"

Note that the option names are case insensitive (qmpdir and qmpDir both work fine).

The options in the default QEX configuration file can be passed in this way, which will modify their values in the generated qexconfig.nims file in the build directory.

Environment variables to be set during compile time (set in the envs variable in the config file ), can be passed one at a time using env:FOO=BAR. See the examples below. The full set can also be passed as a Nim seqeunce of strings using the syntax envs:'@["FOO=BAR","FOO2=BAR2","FOO3_WITH_SPACE_QUOTES=BAR3 \"IN QUOTES\""]'. The third one defines an environment variable with name FOO3_WITH_SPACE_QUOTES and its content BAR3 "IN QUOTES". The single quotes above prevent shell from interpreting the Nim expression, which uses double quotes to denote Nim strings. And the backslashes preserve the double quotes in Nim strings. For the single arguments (env:FOO=BAR) the double quotes will be added by Nim so are unnecessary.

Details on the Nim compiler options can be found here.

Configuration files

The available options and their default settings can be found in build/configDefault.nims.

This default configuration file will be copied to the build directory and renamed qexconfig.nims, with the appropriate substitutions specified on the command line.

Build guide

Details on building applications can be found in BUILD.md.

The test suite can be built with make tests.

This creates a testscript.sh in the current directory which will run the tests. The comments in that file explain what environment variables can be set to run it with a parallel job launcher (i.e. mpirun).

Configuration examples

The configure command can be run from a build directory that is separate from the source directory, or from the source directory.

<configure> is the configure script, including path, in the QEX source directory.

AXV2 using mpicc/mpicxx set to use gcc

<configure> \
  qmpdir:"$HOME/lqcd/install/qmp" \
  qiodir:"$HOME/lqcd/install/qio" \
  cc:"mpicc" \
  cflagsspeed:"-Ofast -march=native -ffast-math" \
  cpp:"mpicxx" \
  cppflagsspeed:"-Ofast -march=native -ffast-math" \
  simd:"SSE,AVX" vlen:8

AXV512 using OpenMPI mpicc/mpicxx and specifying clang/clang++

<configure> \
  qmpdir:"$HOME/lqcd/install/qmp" \
  qiodir:"$HOME/lqcd/install/qio" \
  cctype:"clang" \
  cc:"mpicc" \
  env:"OMPI_CC=clang" \
  cflagsspeed:"-Ofast -march=native -ffast-math" \
  cpp:"mpicxx" \
  env:"OMPI_CXX=clang++" \
  cppflagsspeed:"-Ofast -march=native -ffast-math" \
  simd:"SSE,AVX,AVX512" vlen:16