{2023.06}[foss/2023a] cuDNN 8.9.2.26 w/ CUDA 12.1.1 (part 1)

EESSI-install-software.sh

@@ -234,7 +234,7 @@ pr_diff=$(ls [0-9]*.diff | head -1)
 # for now, this just reinstalls all scripts. Note the most elegant, but works
 ${TOPDIR}/install_scripts.sh --prefix ${EESSI_PREFIX}
 
-# Install full CUDA SDK in host_injections
+# Install full CUDA SDK and cu* libraries in host_injections
 # Hardcode this for now, see if it works
 # TODO: We should make a nice yaml and loop over all CUDA versions in that yaml to figure out what to install
 # Allow skipping CUDA SDK install in e.g. CI environments
@@ -250,9 +250,12 @@ else
 fi
 
 if [ -z "${skip_cuda_install}" ] || [ ! "${skip_cuda_install}" ]; then
-    ${EESSI_PREFIX}/scripts/gpu_support/nvidia/install_cuda_host_injections.sh -c 12.1.1 --accept-cuda-eula
+    ${EESSI_PREFIX}/scripts/gpu_support/nvidia/install_cuda_and_libraries.sh \
+        -e ${EESSI_PREFIX}/scripts/gpu_support/nvidia/eessi-2023.06-cuda-and-libraries.yml \
+        -t /tmp/temp \
+        --accept-cuda-eula
 else
-    echo "Skipping installation of CUDA SDK in host_injections, since the --skip-cuda-install flag was passed OR no EasyBuild module was found"
+    echo "Skipping installation of CUDA SDK and cu* libraries in host_injections, since the --skip-cuda-install flag was passed OR no EasyBuild module was found"
 fi
 
 # Install NVIDIA drivers in host_injections (if they exist)

easystacks/software.eessi.io/2023.06/accel/nvidia/eessi-2023.06-eb-4.9.4-2023a-CUDA.yml

@@ -0,0 +1,2 @@
+easyconfigs:
+  - cuDNN-8.9.2.26-CUDA-12.1.1.eb

eb_hooks.py

@@ -756,64 +756,141 @@ def post_postproc_cuda(self, *args, **kwargs):
         if 'libcudart' not in allowlist:
             raise EasyBuildError("Did not find 'libcudart' in allowlist: %s" % allowlist)
 
-        # iterate over all files in the CUDA installation directory
-        for dir_path, _, files in os.walk(self.installdir):
-            for filename in files:
-                full_path = os.path.join(dir_path, filename)
-                # we only really care about real files, i.e. not symlinks
-                if not os.path.islink(full_path):
-                    # check if the current file name stub is part of the allowlist
-                    basename = filename.split('.')[0]
-                    if basename in allowlist:
-                        self.log.debug("%s is found in allowlist, so keeping it: %s", basename, full_path)
-                    else:
-                        self.log.debug("%s is not found in allowlist, so replacing it with symlink: %s",
-                                       basename, full_path)
-                        # if it is not in the allowlist, delete the file and create a symlink to host_injections
-
-                        # the host_injections path is under a fixed repo/location for CUDA
-                        host_inj_path = re.sub(EESSI_INSTALLATION_REGEX, HOST_INJECTIONS_LOCATION, full_path)
-                        # CUDA itself doesn't care about compute capability so remove this duplication from
-                        # under host_injections (symlink to a single CUDA installation for all compute
-                        # capabilities)
-                        accel_subdir = os.getenv("EESSI_ACCELERATOR_TARGET")
-                        if accel_subdir:
-                            host_inj_path = host_inj_path.replace("/accel/%s" % accel_subdir, '')
-                        # make sure source and target of symlink are not the same
-                        if full_path == host_inj_path:
-                            raise EasyBuildError("Source (%s) and target (%s) are the same location, are you sure you "
-                                                 "are using this hook for an EESSI installation?",
-                                                 full_path, host_inj_path)
-                        remove_file(full_path)
-                        symlink(host_inj_path, full_path)
+        # replace files that are not distributable with symlinks into
+        # host_injections
+        replace_non_distributable_files_with_symlinks(self.log, self.installdir, self.name, allowlist)
     else:
         raise EasyBuildError("CUDA-specific hook triggered for non-CUDA easyconfig?!")
 
 
+def post_postproc_cudnn(self, *args, **kwargs):
+    """
+    Remove files from cuDNN installation that we are not allowed to ship,
+    and replace them with a symlink to a corresponding installation under host_injections.
+    """
+
+    # We need to check if we are doing an EESSI-distributed installation
+    eessi_installation = bool(re.search(EESSI_INSTALLATION_REGEX, self.installdir))
+
+    if self.name == 'cuDNN' and eessi_installation:
+        print_msg("Replacing files in cuDNN installation that we can not ship with symlinks to host_injections...")
+
+        allowlist = ['LICENSE']
+
+        # read cuDNN LICENSE, construct allowlist based on section "2. Distribution" that specifies list of files that can be shipped
+        license_path = os.path.join(self.installdir, 'LICENSE')
+        search_string = "2. Distribution. The following portions of the SDK are distributable under the Agreement:"
+        with open(license_path) as infile:
+            for line in infile:
+                if line.strip().startswith(search_string):
+                    # remove search string, split into words, remove trailing
+                    # dots '.' and only retain words starting with a dot '.'
+                    distributable = line[len(search_string):]
+                    for word in distributable.split():
+                        if word[0] == '.':
+                            allowlist.append(word.rstrip('.'))
+
+        allowlist = sorted(set(allowlist))
+        self.log.info("Allowlist for files in cuDNN installation that can be redistributed: " + ', '.join(allowlist))
+
+        # replace files that are not distributable with symlinks into
+        # host_injections
+        replace_non_distributable_files_with_symlinks(self.log, self.installdir, self.name, allowlist)
+    else:
+        raise EasyBuildError("cuDNN-specific hook triggered for non-cuDNN easyconfig?!")
+
+
+def replace_non_distributable_files_with_symlinks(log, install_dir, package, allowlist):
+    """
+    Replace files that cannot be distributed with symlinks into host_injections
+    """
+    extension_based = { "CUDA": False, "cuDNN": True }
+    if not package in extension_based:
+        raise EasyBuildError("Don't know how to strip non-distributable files from package %s.", package)
+
+    # iterate over all files in the package installation directory
+    for dir_path, _, files in os.walk(install_dir):
+        for filename in files:
+            full_path = os.path.join(dir_path, filename)
+            # we only really care about real files, i.e. not symlinks
+            if not os.path.islink(full_path):
+                # check if the current file name stub is part of the allowlist
+                basename =  filename.split('.')[0]
+                if extension_based[package]:
+                    if '.' in filename:
+                        extension = '.' + filename.split('.')[1]
+                if basename in allowlist:
+                    log.debug("%s is found in allowlist, so keeping it: %s", basename, full_path)
+                elif extension_based[package] and '.' in filename and extension in allowlist:
+                    log.debug("%s is found in allowlist, so keeping it: %s", extension, full_path)
+                else:
+                    if extension_based[package]:
+                        print_name = filename
+                    else:
+                        print_name = basename
+                    log.debug("%s is not found in allowlist, so replacing it with symlink: %s",
+                              print_name, full_path)
+                    # the host_injections path is under a fixed repo/location for CUDA or cuDNN
+                    host_inj_path = re.sub(EESSI_INSTALLATION_REGEX, HOST_INJECTIONS_LOCATION, full_path)
+                    # CUDA and cuDNN itself don't care about compute capability so remove this duplication from
+                    # under host_injections (symlink to a single CUDA or cuDNN installation for all compute
+                    # capabilities)
+                    accel_subdir = os.getenv("EESSI_ACCELERATOR_TARGET")
+                    if accel_subdir:
+                        host_inj_path = host_inj_path.replace("/accel/%s" % accel_subdir, '')
+                    # make sure source and target of symlink are not the same
+                    if full_path == host_inj_path:
+                        raise EasyBuildError("Source (%s) and target (%s) are the same location, are you sure you "
+                                             "are using this hook for an EESSI installation?",
+                                             full_path, host_inj_path)
+                    remove_file(full_path)
+                    symlink(host_inj_path, full_path)
+
+
 def inject_gpu_property(ec):
     """
-    Add 'gpu' property, via modluafooter easyconfig parameter
+    Add 'gpu' property EESSI<PACKAGE>VERSION envvars and drop dependencies to
+    build dependencies, via modluafooter easyconfig parameter
     """
     ec_dict = ec.asdict()
-    # Check if CUDA is in the dependencies, if so add the 'gpu' Lmod property
-    if ('CUDA' in [dep[0] for dep in iter(ec_dict['dependencies'])]):
-        ec.log.info("Injecting gpu as Lmod arch property and envvar with CUDA version")
+    # Check if CUDA, cuDNN, you-name-it is in the dependencies, if so
+    # - drop dependency to build dependency
+    # - add 'gpu' Lmod property
+    # - add envvar with package version
+    packages_list = ( "CUDA", "cuDNN" )
+    packages_version = { }
+    add_gpu_property = ''
+
+    for package in packages_list:
+        # Check if package is in the dependencies, if so drop dependency to build
+        # dependency and set variable for later adding the 'gpu' Lmod property
+        if (package in [dep[0] for dep in iter(ec_dict['dependencies'])]):
+            add_gpu_property = 'add_property("arch","gpu")'
+            for dep in iter(ec_dict['dependencies']):
+                if package in dep[0]:
+                    # make package a build dependency only (rpathing saves us from link errors)
+                    ec.log.info("Dropping dependency on %s to build dependency" % package)
+                    ec_dict['dependencies'].remove(dep)
+                    if dep not in ec_dict['builddependencies']:
+                        ec_dict['builddependencies'].append(dep)
+                    # take note of version for creating the modluafooter
+                    packages_version[package] = dep[1]
+    if add_gpu_property:
+        ec.log.info("Injecting gpu as Lmod arch property and envvars for dependencies with their version")
         key = 'modluafooter'
-        value = 'add_property("arch","gpu")'
-        cuda_version = 0
-        for dep in iter(ec_dict['dependencies']):
-            # Make CUDA a build dependency only (rpathing saves us from link errors)
-            if 'CUDA' in dep[0]:
-                cuda_version = dep[1]
-                ec_dict['dependencies'].remove(dep)
-                if dep not in ec_dict['builddependencies']:
-                    ec_dict['builddependencies'].append(dep)
-        value = '\n'.join([value, 'setenv("EESSICUDAVERSION","%s")' % cuda_version])
-        if key in ec_dict:
-            if value not in ec_dict[key]:
-                ec[key] = '\n'.join([ec_dict[key], value])
+        values = [add_gpu_property]
+        for package, version in packages_version.items():
+            envvar = "EESSI%sVERSION" % package.upper()
+            values.append('setenv("%s","%s")' % (envvar, version))
+        if not key in ec_dict:
+            ec[key] = '\n'.join(values)
         else:
-            ec[key] = value
+            new_value = ec_dict[key]
+            for value in values:
+                if not value in new_value:
+                    new_value = '\n'.join([new_value, value])
+            ec[key] = new_value
+
     return ec
 
 
@@ -873,4 +950,5 @@ def inject_gpu_property(ec):
 
 POST_POSTPROC_HOOKS = {
     'CUDA': post_postproc_cuda,
+    'cuDNN': post_postproc_cudnn,
 }

install_scripts.sh

@@ -122,7 +122,10 @@ copy_files_by_list ${TOPDIR}/scripts ${INSTALL_PREFIX}/scripts "${script_files[@
 
 # Copy files for the scripts/gpu_support/nvidia directory
 nvidia_files=(
-    install_cuda_host_injections.sh link_nvidia_host_libraries.sh
+    eessi-2023.06-cuda-and-libraries.yml
+    install_cuda_and_libraries.sh
+    install_cuda_host_injections.sh
+    link_nvidia_host_libraries.sh
 )
 copy_files_by_list ${TOPDIR}/scripts/gpu_support/nvidia ${INSTALL_PREFIX}/scripts/gpu_support/nvidia "${nvidia_files[@]}"
 

scripts/gpu_support/nvidia/eessi-2023.06-cuda-and-libraries.yml

@@ -0,0 +1,3 @@
+easyconfigs:
+ - CUDA-12.1.1.eb
+ - cuDNN-8.9.2.26-CUDA-12.1.1.eb