Add CUDA support

eb_hooks.py

@@ -7,7 +7,7 @@
 from easybuild.tools.systemtools import AARCH64, POWER, get_cpu_architecture
 
 EESSI_RPATH_OVERRIDE_ATTR = 'orig_rpath_override_dirs'
-
+CUDA_ENABLED_TOOLCHAINS = ["fosscuda", "gcccuda", "gimpic", "giolfc", "gmklc", "golfc", "gomklc", "gompic", "goolfc", "iccifortcuda", "iimklc", "iimpic", "intelcuda", "iomklc", "iompic", "nvompic", "nvpsmpic"]
 
 def get_eessi_envvar(eessi_envvar):
     """Get an EESSI environment variable from the environment"""
@@ -41,13 +41,32 @@ def get_rpath_override_dirs(software_name):
 
     return rpath_injection_dirs
 
+def inject_gpu_property(ec):
+    ec_dict = ec.asdict()
+    # Check if CUDA is in the dependencies, if so add the GPU Lmod tag
+    if (
+        "CUDA" in [dep[0] for dep in iter(ec_dict["dependencies"])]
+        or ec_dict["toolchain"]["name"] in CUDA_ENABLED_TOOLCHAINS
+    ):
+        key = "modluafooter"
+        value = 'add_property("arch","gpu")'
+        if key in ec_dict:
+            if not value in ec_dict[key]:
+                ec[key] = "\n".join([ec_dict[key], value])
+        else:
+            ec[key] = value
+        ec.log.info("[parse hook] Injecting gpu as Lmod arch property")
+
+    return ec
 
 def parse_hook(ec, *args, **kwargs):
     """Main parse hook: trigger custom functions based on software name."""
 
     # determine path to Prefix installation in compat layer via $EPREFIX
     eprefix = get_eessi_envvar('EPREFIX')
 
+    ec = inject_gpu_property(ec)
+
     if ec.name in PARSE_HOOKS:
         PARSE_HOOKS[ec.name](ec, eprefix)
 
@@ -103,6 +122,24 @@ def cgal_toolchainopts_precise(ec, eprefix):
         raise EasyBuildError("CGAL-specific hook triggered for non-CGAL easyconfig?!")
 
 
+def pre_fetch_hook(self, *args, **kwargs):
+    """Modify install path for CUDA software."""
+    if self.name == 'CUDA':
+        self.installdir = self.installdir.replace('versions', 'host_injections')
+
+
+def pre_module_hook(self, *args, **kwargs):
+    """Modify install path for CUDA software."""
+    if self.name == 'CUDA':
+        self.installdir = self.installdir.replace('versions', 'host_injections')
+
+
+def pre_sanitycheck_hook(self, *args, **kwargs):
+    """Modify install path for CUDA software."""
+    if self.name == 'CUDA':
+        self.installdir = self.installdir.replace('versions', 'host_injections')
+
+
 def fontconfig_add_fonts(ec, eprefix):
     """Inject --with-add-fonts configure option for fontconfig."""
     if ec.name == 'fontconfig':

gpu_support/README.md

@@ -0,0 +1,10 @@
+# How to add GPU support
+The collection of scripts in this directory enables you to add GPU support to your setup.
+Note that currently this means that CUDA support can be added for Nvidia GPUs. AMD GPUs are not yet supported (feel free to contribute that though!).
+To enable the usage of CUDA in your setup, simply run the following script:
+```
+./add_nvidia_gpu_support.sh
+```
+## Prerequisites and tips
+* You need write permissions to `/cvmfs/pilot.eessi-hpc.org/host_injections` (which by default is a symlink to `/opt/eessi` but can be configured in your CVMFS config file to point somewhere else). If you would like to make a system-wide installation you should change this in your configuration to point somewhere on a shared filesystem.
+* If you want to install CUDA on a node without GPUs (e.g. on a login node where you want to be able to compile your CUDA-enabled code), you should `export INSTALL_WO_GPU=true` in order to skip checks and tests that can only succeed if you have access to a GPU. This approach is not recommended as there is a chance the CUDA compatibility library installed is not compatible with the existing CUDA driver on GPU nodes (and this will not be detected).

gpu_support/add_amd_gpu_support.sh

@@ -0,0 +1,14 @@
+#!/bin/bash
+
+cat << EOF
+This is not implemented yet :(
+
+If you would like to contribute this support there are a few things you will
+need to consider:
+- We will need to change the Lmod property added to GPU software so we can
+  distinguish AMD and Nvidia GPUs
+- Support should be implemented in user space, if this is not possible (e.g.,
+  requires a driver update) you need to tell the user what to do
+- Support needs to be _verified_ and a trigger put in place (like the existence
+  of a particular path) so we can tell Lmod to display the associated modules
+EOF

gpu_support/add_nvidia_gpu_support.sh

@@ -0,0 +1,204 @@
+#!/bin/bash
+
+# Drop into the prefix shell or pipe this script into a Prefix shell with
+#   $EPREFIX/startprefix <<< /path/to/this_script.sh
+
+install_cuda_version="${INSTALL_CUDA_VERSION:=11.3.1}"
+install_p7zip_version="${INSTALL_P7ZIP_VERSION:=17.04-GCCcore-10.3.0}"
+
+# If you want to install CUDA support on login nodes (typically without GPUs),
+# set this variable to true. This will skip all GPU-dependent checks
+install_wo_gpu=false
+[ "$INSTALL_WO_GPU" = true ] && install_wo_gpu=true
+
+# verify existence of nvidia-smi or this is a waste of time
+# Check if nvidia-smi exists and can be executed without error
+if [[ "${install_wo_gpu}" != "true" ]]; then
+  if command -v nvidia-smi > /dev/null 2>&1; then
+    nvidia-smi > /dev/null 2>&1
+    if [ $? -ne 0 ]; then
+      echo "nvidia-smi was found but returned error code, exiting now..." >&2
+      echo "If you do not have a GPU on this device but wish to force the installation,"
+      echo "please set the environment variable INSTALL_WO_GPU=true"
+      exit 1
+    fi
+    echo "nvidia-smi found, continue setup."
+  else
+    echo "nvidia-smi not found, exiting now..." >&2
+    echo "If you do not have a GPU on this device but wish to force the installation,"
+    echo "please set the environment variable INSTALL_WO_GPU=true"
+    exit 1
+  fi
+else
+  echo "You requested to install CUDA without GPUs present."
+  echo "This means that all GPU-dependent tests/checks will be skipped!"
+fi
+
+EESSI_SILENT=1 source /cvmfs/pilot.eessi-hpc.org/latest/init/bash
+
+##############################################################################################
+# Check that the CUDA driver version is adequate
+# (
+#  needs to be r450 or r470 which are LTS, other production branches are acceptable but not
+#  recommended, below r450 is not compatible [with an exception we will not explore,see
+#  https://docs.nvidia.com/datacenter/tesla/drivers/#cuda-drivers]
+# )
+# only check first number in case of multiple GPUs
+if [[ "${install_wo_gpu}" != "true" ]]; then
+  driver_major_version=$(nvidia-smi --query-gpu=driver_version --format=csv,noheader | tail -n1)
+  driver_major_version="${driver_major_version%%.*}"
+  # Now check driver_version for compatability
+  # Check driver is at least LTS driver R450, see https://docs.nvidia.com/datacenter/tesla/drivers/#cuda-drivers
+  if (( $driver_major_version < 450 )); then
+    echo "Your NVIDIA driver version is too old, please update first.."
+    exit 1
+  fi
+fi
+
+###############################################################################################
+###############################################################################################
+# Install CUDA
+# TODO: Can we do a trimmed install?
+# if modules dir exists, load it for usage within Lmod
+cuda_install_dir="${EESSI_SOFTWARE_PATH/versions/host_injections}"
+mkdir -p ${cuda_install_dir}
+# only install CUDA if specified version is not found
+if [ -d ${cuda_install_dir}/software/CUDA/${install_cuda_version} ]; then
+  echo "CUDA module found! No need to install CUDA again, proceeding with tests"
+else
+  # - as an installation location just use $EESSI_SOFTWARE_PATH but replacing `versions` with `host_injections`
+  #   (CUDA is a binary installation so no need to worry too much about this)
+  # TODO: The install is pretty fat, you need lots of space for download/unpack/install (~3*5GB), need to do a space check before we proceed
+  avail_space=$(df --output=avail ${cuda_install_dir}/ | tail -n 1 | awk '{print $1}')
+  if (( ${avail_space} < 16000000 )); then
+    echo "Need more disk space to install CUDA, exiting now..."
+    exit 1
+  fi
+  # install cuda in host_injections
+  module load EasyBuild
+  # we need the --rebuild option, since the module file is shipped with EESSI
+  tmpdir=$(mktemp -d)
+  eb --rebuild --installpath-modules=${tmpdir} --installpath=${cuda_install_dir}/ CUDA-${install_cuda_version}.eb
+  ret=$?
+  if [ $ret -ne 0 ]; then
+    echo "CUDA installation failed, please check EasyBuild logs..."
+    exit 1
+  fi
+  rm -rf ${tmpdir}
+fi
+
+# Install p7zip, this will be used to install the CUDA compat libraries from rpm.
+# The rpm and deb files contain the same libraries, so we just stick to the rpm version.
+# If p7zip is missing from the software layer (for whatever reason), we need to install it.
+# This has to happen in host_injections, so we check first if it is already installed there.
+module use ${cuda_install_dir}/modules/all/
+module avail 2>&1 | grep -i p7zip &> /dev/null
+if [[ $? -eq 0 ]]; then
+  echo "p7zip module found! No need to install p7zip again, proceeding with installation of compat libraries"
+else
+  # install p7zip in host_injections
+  module load EasyBuild
+  eb --robot --installpath=${cuda_install_dir}/ p7zip-${install_p7zip_version}.eb
+  ret=$?
+  if [ $ret -ne 0 ]; then
+    echo "p7zip installation failed, please check EasyBuild logs..."
+    exit 1
+  fi
+fi
+
+# Check if the CUDA compat libraries are installed and compatible with the target CUDA version
+# if not find the latest version of the compatibility libraries and install them
+
+# get URL to latest CUDA compat libs, exit if URL is invalid
+cuda_compat_urls="$($(dirname "$BASH_SOURCE")/get_cuda_compatlibs.sh)"
+ret=$?
+if [ $ret -ne 0 ]; then
+  echo $cuda_compat_urls
+  exit 1
+fi
+
+# loop over the compat library versions until we get one that works for us
+keep_driver_check=1
+# Do a maximum of five attempts
+for value in {1..5}
+do
+    latest_cuda_compat_url=$(echo $cuda_compat_urls | cut -d " " -f1)
+    # Chomp that value out of the list
+    cuda_compat_urls=$(echo $cuda_compat_urls | cut -d " " -f2-)
+    latest_driver_version="${latest_cuda_compat_url%-*}"
+    latest_driver_version="${latest_driver_version##*-}"
+    # URLs differ for different OSes; check if we already have a number, if not remove string part that is not needed
+    if [[ ! $latest_driver_version =~ ^[0-9]+$ ]]; then
+      latest_driver_version="${latest_driver_version##*_}"
+    fi
+
+    install_compat_libs=false
+    host_injections_dir="/cvmfs/pilot.eessi-hpc.org/host_injections/nvidia"
+    # libcuda.so points to actual cuda compat lib with driver version in its name
+    # if this file exists, cuda compat libs are installed and we can compare the version
+    if [ -e $host_injections_dir/latest/compat/libcuda.so ]; then
+      eessi_driver_version=$( realpath $host_injections_dir/latest/compat/libcuda.so)
+      eessi_driver_version="${eessi_driver_version##*so.}"
+    else
+      eessi_driver_version=0
+    fi
+
+    if [ $keep_driver_check -eq 1 ]
+    then
+      # only keep the driver check for the latest version
+      keep_driver_check=0
+    else
+      eessi_driver_version=0
+    fi
+
+    if [ ${latest_driver_version//./} -gt ${eessi_driver_version//./} ]; then
+      install_compat_libs=true
+    else
+      echo "CUDA compat libs are up-to-date, skip installation."
+    fi
+
+    if [ "${install_compat_libs}" == true ]; then
+      bash $(dirname "$BASH_SOURCE")/install_cuda_compatlibs.sh $latest_cuda_compat_url
+    fi
+
+    if [[ "${install_wo_gpu}" != "true" ]]; then
+      bash $(dirname "$BASH_SOURCE")/test_cuda.sh
+      if [ $? -eq 0 ]
+      then
+        exit 0
+      else
+        echo
+        echo "It looks like your driver is not recent enough to work with that release of CUDA, consider updating!"
+        echo "I'll try an older release to see if that will work..."
+        echo
+      fi
+    else
+      echo "Requested to install CUDA without GPUs present, so we skip final tests."
+      echo "Instead we test if module load CUDA works as expected..."
+      if [ -d ${cuda_install_dir}/modules/all ]; then
+        module use ${cuda_install_dir}/modules/all/
+      else
+        echo "Cannot load CUDA, modules path does not exist, exiting now..."
+        exit 1
+      fi
+      module load CUDA
+      ret=$?
+      if [ $ret -ne 0 ]; then
+        echo "Could not load CUDA even though modules path exists..."
+        exit 1
+      else
+        echo "Successfully loaded CUDA, you are good to go! :)"
+        echo "  - To build CUDA enabled modules use ${EESSI_SOFTWARE_PATH/versions/host_injections} as your EasyBuild prefix"
+        echo "  - To use these modules:"
+        echo "      module use ${EESSI_SOFTWARE_PATH/versions/host_injections}/modules/all/"
+        echo "  - Please keep in mind that we just installed the latest CUDA compat libs."
+        echo "    Since we have no GPU to test with, we cannot guarantee that it will work with the installed CUDA drivers on your GPU node(s)."
+	exit 0
+      fi
+      break
+    fi
+done
+
+echo "Tried to install 5 different generations of compat libraries and none worked,"
+echo "this usually means your driver is very out of date!"
+exit 1

gpu_support/get_cuda_compatlibs.sh

@@ -0,0 +1,21 @@
+#!/bin/bash
+
+current_dir=$(dirname $(realpath $0))
+
+# Get arch type from EESSI environment
+if [[ -z "${EESSI_CPU_FAMILY}" ]]; then
+  # set up basic environment variables, EasyBuild and Lmod
+  EESSI_SILENT=1 source /cvmfs/pilot.eessi-hpc.org/latest/init/bash
+fi
+eessi_cpu_family="${EESSI_CPU_FAMILY:-x86_64}"
+
+# build URL for CUDA libraries
+# take rpm file for compat libs from rhel8 folder, deb and rpm files contain the same libraries
+cuda_url="https://developer.download.nvidia.com/compute/cuda/repos/rhel8/"${eessi_cpu_family}"/"
+# get all versions in decending order
+files=$(curl -s "${cuda_url}" | grep 'cuda-compat' | sed 's/<\/\?[^>]\+>//g' | xargs -n1 | /cvmfs/pilot.eessi-hpc.org/latest/compat/linux/${eessi_cpu_family}/bin/sort -r --version-sort )
+if [[ -z "${files// }" ]]; then
+        echo "Could not find any compat lib files under" ${cuda_url}
+        exit 1
+fi
+for file in $files; do echo "${cuda_url}$file"; done