make intelfftw toolchain component aware of imkl-FFTW module

easybuild/toolchains/fft/intelfftw.py

@@ -95,6 +95,12 @@ def _set_fftw_variables(self):
         # so make sure libraries are there before FFT_LIB is set
         imklroot = get_software_root(self.FFT_MODULE_NAME[0])
         fft_lib_dirs = [os.path.join(imklroot, d) for d in self.FFT_LIB_DIR]
+        imklfftwroot = get_software_root('imkl-FFTW')
+        if imklfftwroot:
+            # only get cluster_interface_lib from seperate module imkl-FFTW, rest via libmkl_gf/libmkl_intel
+            fft_lib_dirs += [os.path.join(imklfftwroot, 'lib')]
+            fftw_libs.remove(interface_lib)
+            fftw_mt_libs.remove(interface_lib)
 
         def fftw_lib_exists(libname):
             """Helper function to check whether FFTW library with specified name exists."""

test/framework/modules.py

@@ -54,7 +54,7 @@
 
 
 # number of modules included for testing purposes
-TEST_MODULES_COUNT = 82
+TEST_MODULES_COUNT = 87
 
 
 class ModulesTest(EnhancedTestCase):

test/framework/modules/imkl-FFTW/2021.4.0

@@ -0,0 +1,31 @@
+#%Module
+proc ModulesHelp { } {
+    puts stderr {
+
+Description
+===========
+FFTW interfaces using Intel oneAPI Math Kernel Library
+
+
+More information
+================
+ - Homepage: https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html
+    }
+}
+
+module-whatis {Description: FFTW interfaces using Intel oneAPI Math Kernel Library}
+module-whatis {Homepage: https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html}
+module-whatis {URL: https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html}
+
+set root /tmp/imkl-FFTW/2021.4.0
+
+conflict imkl-FFTW
+
+prepend-path	CMAKE_PREFIX_PATH		$root
+prepend-path	LD_LIBRARY_PATH		$root/lib
+prepend-path	LIBRARY_PATH		$root/lib
+setenv	EBROOTIMKLMINFFTW		"$root"
+setenv	EBVERSIONIMKLMINFFTW		"2021.4.0"
+setenv	EBDEVELIMKLMINFFTW		"$root/easybuild/imkl-FFTW-2021.4.0-easybuild-devel"
+
+# Built with EasyBuild version 4.5.0dev

test/framework/modules/imkl/2021.4.0

@@ -0,0 +1,37 @@
+#%Module
+proc ModulesHelp { } {
+    puts stderr {
+
+Description
+===========
+Intel oneAPI Math Kernel Library
+
+
+More information
+================
+ - Homepage: https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html
+    }
+}
+
+module-whatis {Description: Intel oneAPI Math Kernel Library}
+module-whatis {Homepage: https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html}
+module-whatis {URL: https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html}
+
+set root	/tmp/eb-bI0pBy/eb-DmuEpJ/eb-leoYDw/eb-UtJJqp/tmp8P3FOY
+
+conflict imkl
+
+prepend-path	CMAKE_PREFIX_PATH		$root
+prepend-path	CPATH		$root/mkl/2021.4.0/include
+prepend-path	CPATH		$root/mkl/2021.4.0/include/fftw
+prepend-path	LD_LIBRARY_PATH		$root/compiler/2021.4.0/linux/compiler/lib/intel64_lin
+prepend-path	LD_LIBRARY_PATH		$root/mkl/2021.4.0/lib/intel64
+prepend-path	LIBRARY_PATH		$root/compiler/2021.4.0/linux/compiler/lib/intel64_lin
+prepend-path	LIBRARY_PATH		$root/mkl/2021.4.0/lib/intel64
+setenv	EBROOTIMKL		"$root"
+setenv	EBVERSIONIMKL		"2021.4.0"
+setenv	EBDEVELIMKL		"$root/easybuild/Core-imkl-2021.4.0-easybuild-devel"
+
+setenv	MKL_EXAMPLES		"$root/mkl/2021.4.0/examples"
+setenv	MKLROOT		"$root/mkl/2021.4.0"
+# Built with EasyBuild version 4.5.0dev

test/framework/modules/impi/2021.4.0

@@ -0,0 +1,42 @@
+#%Module
+proc ModulesHelp { } {
+    puts stderr {
+
+Description
+===========
+Intel MPI Library, compatible with MPICH ABI
+
+
+More information
+================
+ - Homepage: https://software.intel.com/content/www/us/en/develop/tools/mpi-library.html
+    }
+}
+
+module-whatis {Description: Intel MPI Library, compatible with MPICH ABI}
+module-whatis {Homepage: https://software.intel.com/content/www/us/en/develop/tools/mpi-library.html}
+module-whatis {URL: https://software.intel.com/content/www/us/en/develop/tools/mpi-library.html}
+
+set root /tmp/impi/2021.4.0
+
+conflict impi
+
+prepend-path	CMAKE_PREFIX_PATH		$root
+prepend-path	CPATH		$root/mpi/2021.4.0/include
+prepend-path	FI_PROVIDER_PATH		$root/mpi/2021.4.0/libfabric/lib/prov
+prepend-path	LD_LIBRARY_PATH		$root/mpi/2021.4.0/lib
+prepend-path	LD_LIBRARY_PATH		$root/mpi/2021.4.0/lib/release
+prepend-path	LD_LIBRARY_PATH		$root/mpi/2021.4.0/libfabric/lib
+prepend-path	LIBRARY_PATH		$root/mpi/2021.4.0/lib
+prepend-path	LIBRARY_PATH		$root/mpi/2021.4.0/lib/release
+prepend-path	LIBRARY_PATH		$root/mpi/2021.4.0/libfabric/lib
+prepend-path	MANPATH		$root/mpi/2021.4.0/man
+prepend-path	PATH		$root/mpi/2021.4.0/bin
+prepend-path	PATH		$root/mpi/2021.4.0/libfabric/bin
+setenv	EBROOTIMPI		"$root"
+setenv	EBVERSIONIMPI		"2021.4.0"
+setenv	EBDEVELIMPI		"$root/easybuild/impi-2021.4.0-easybuild-devel"
+
+setenv	I_MPI_ROOT		"$root/mpi/2021.4.0"
+setenv	UCX_TLS		"all"
+# Built with EasyBuild version 4.5.0dev

test/framework/modules/intel-compilers/2021.4.0

@@ -0,0 +1,41 @@
+#%Module
+proc ModulesHelp { } {
+    puts stderr {
+
+Description
+===========
+Intel C, C++ & Fortran compilers (classic and oneAPI)
+
+
+More information
+================
+ - Homepage: https://software.intel.com/content/www/us/en/develop/tools/oneapi/hpc-toolkit.html
+    }
+}
+
+module-whatis {Description: Intel C, C++ & Fortran compilers (classic and oneAPI)}
+module-whatis {Homepage: https://software.intel.com/content/www/us/en/develop/tools/oneapi/hpc-toolkit.html}
+module-whatis {URL: https://software.intel.com/content/www/us/en/develop/tools/oneapi/hpc-toolkit.html}
+
+set root /tmp/intel-compilers/2021.4.0
+
+conflict intel-compilers
+
+prepend-path	CPATH		$root/tbb/2021.4.0/include
+prepend-path	LD_LIBRARY_PATH		$root/compiler/2021.4.0/linux/lib
+prepend-path	LD_LIBRARY_PATH		$root/compiler/2021.4.0/linux/lib/x64
+prepend-path	LD_LIBRARY_PATH		$root/compiler/2021.4.0/linux/compiler/lib/intel64_lin
+prepend-path	LD_LIBRARY_PATH		$root/tbb/2021.4.0/lib/intel64/gcc4.8
+prepend-path	LIBRARY_PATH		$root/compiler/2021.4.0/linux/lib
+prepend-path	LIBRARY_PATH		$root/compiler/2021.4.0/linux/lib/x64
+prepend-path	LIBRARY_PATH		$root/compiler/2021.4.0/linux/compiler/lib/intel64_lin
+prepend-path	LIBRARY_PATH		$root/tbb/2021.4.0/lib/intel64/gcc4.8
+prepend-path	OCL_ICD_FILENAMES		$root/compiler/2021.4.0/linux/lib/x64/libintelocl.so
+prepend-path	PATH		$root/compiler/2021.4.0/linux/bin
+prepend-path	PATH		$root/compiler/2021.4.0/linux/bin/intel64
+prepend-path	TBBROOT		$root/tbb/2021.4.0
+setenv	EBROOTINTELMINCOMPILERS		"$root"
+setenv	EBVERSIONINTELMINCOMPILERS		"2021.4.0"
+setenv	EBDEVELINTELMINCOMPILERS		"$root/easybuild/Core-intel-compilers-2021.4.0-easybuild-devel"
+
+# Built with EasyBuild version 4.5.0dev

test/framework/modules/intel/2021b

@@ -0,0 +1,36 @@
+#%Module
+
+proc ModulesHelp { } {
+    puts stderr {   Intel Cluster Toolkit Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MPI & Intel MKL. - Homepage: http://software.intel.com/en-us/intel-cluster-toolkit-compiler/
+    }
+}
+
+module-whatis {Intel Cluster Toolkit Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MPI & Intel MKL. - Homepage: http://software.intel.com/en-us/intel-cluster-toolkit-compiler/}
+
+set root    /tmp/intel/2021b
+
+conflict   intel
+
+if { ![is-loaded intel-compilers/2021.4.0] } {
+    module load intel-compilers/2021.4.0
+}
+
+if { ![is-loaded impi/2021.4.0] } {
+    module load impi/2021.4.0
+}
+
+if { ![is-loaded imkl/2021.4.0] } {
+    module load imkl/2021.4.0
+}
+
+if { ![is-loaded imkl-FFTW/2021.4.0] } {
+    module load imkl-FFTW/2021.4.0
+}
+
+
+setenv	EBROOTINTEL		"$root"
+setenv	EBVERSIONINTEL		"2021b"
+setenv	EBDEVELINTEL		"$root/easybuild/intel-2021b-easybuild-devel"
+
+
+# built with EasyBuild version 4.5.0dev

test/framework/toolchain.py

@@ -1020,6 +1020,7 @@ def test_fft_env_vars_foss(self):
     def test_fft_env_vars_intel(self):
         """Test setting of $FFT* environment variables using intel toolchain."""
 
+        self.modtool.purge()
         self.setup_sandbox_for_intel_fftw(self.test_prefix)
         self.modtool.prepend_module_path(self.test_prefix)
 
@@ -1079,6 +1080,64 @@ def test_fft_env_vars_intel(self):
         libfft_mt += '-Wl,-Bdynamic -liomp5 -lpthread'
         self.assertEqual(tc.get_variable('LIBFFT_MT'), libfft_mt)
 
+        self.modtool.purge()
+        self.setup_sandbox_for_intel_fftw(self.test_prefix, imklver='2021.4.0')
+        tc = self.get_toolchain('intel', version='2021b')
+        tc.prepare()
+
+        fft_static_libs = 'libmkl_intel_lp64.a,libmkl_sequential.a,libmkl_core.a'
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS'), fft_static_libs)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS'), fft_static_libs)
+
+        fft_static_libs_mt = 'libmkl_intel_lp64.a,libmkl_intel_thread.a,libmkl_core.a,'
+        fft_static_libs_mt += 'libiomp5.a,libpthread.a'
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS_MT'), fft_static_libs_mt)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS_MT'), fft_static_libs_mt)
+
+        libfft = "-Wl,-Bstatic -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core "
+        libfft += "-Wl,--end-group -Wl,-Bdynamic"
+        self.assertEqual(tc.get_variable('LIBFFT'), libfft)
+
+        libfft_mt = "-Wl,-Bstatic -Wl,--start-group -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core "
+        libfft_mt += "-Wl,--end-group -Wl,-Bdynamic -liomp5 -lpthread"
+        self.assertEqual(tc.get_variable('LIBFFT_MT'), libfft_mt)
+
+        tc = self.get_toolchain('intel', version='2021b')
+        tc.set_options({'openmp': True})
+        tc.prepare()
+
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS'), fft_static_libs)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS'), fft_static_libs)
+
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS_MT'), fft_static_libs_mt)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS_MT'), fft_static_libs_mt)
+
+        self.assertEqual(tc.get_variable('LIBFFT'), libfft)
+        self.assertEqual(tc.get_variable('LIBFFT_MT'), libfft_mt)
+
+        tc = self.get_toolchain('intel', version='2021b')
+        tc.set_options({'usempi': True})
+        tc.prepare()
+
+        fft_static_libs = 'libfftw3x_cdft_lp64.a,libmkl_cdft_core.a,libmkl_blacs_intelmpi_lp64.a,'
+        fft_static_libs += 'libmkl_intel_lp64.a,libmkl_sequential.a,libmkl_core.a'
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS'), fft_static_libs)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS'), fft_static_libs)
+
+        fft_static_libs_mt = 'libfftw3x_cdft_lp64.a,libmkl_cdft_core.a,libmkl_blacs_intelmpi_lp64.a,'
+        fft_static_libs_mt += 'libmkl_intel_lp64.a,libmkl_intel_thread.a,libmkl_core.a,libiomp5.a,libpthread.a'
+        self.assertEqual(tc.get_variable('FFT_STATIC_LIBS_MT'), fft_static_libs_mt)
+        self.assertEqual(tc.get_variable('FFTW_STATIC_LIBS_MT'), fft_static_libs_mt)
+
+        libfft = '-Wl,-Bstatic -Wl,--start-group -lfftw3x_cdft_lp64 -lmkl_cdft_core '
+        libfft += '-lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group -Wl,-Bdynamic'
+        self.assertEqual(tc.get_variable('LIBFFT'), libfft)
+
+        libfft_mt = '-Wl,-Bstatic -Wl,--start-group -lfftw3x_cdft_lp64 -lmkl_cdft_core '
+        libfft_mt += '-lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -Wl,--end-group '
+        libfft_mt += '-Wl,-Bdynamic -liomp5 -lpthread'
+        self.assertEqual(tc.get_variable('LIBFFT_MT'), libfft_mt)
+
     def test_fosscuda(self):
         """Test whether fosscuda is handled properly."""
         tc = self.get_toolchain("fosscuda", version="2018a")
@@ -1124,17 +1183,37 @@ def setup_sandbox_for_intel_fftw(self, moddir, imklver='2018.1.163'):
         ])
         write_file(imkl_module_path, imkl_mod_txt)
 
-        fftw_libs = ['fftw3xc_intel', 'fftw3xc_pgi', 'mkl_cdft_core', 'mkl_blacs_intelmpi_lp64']
-        fftw_libs += ['mkl_intel_lp64', 'mkl_sequential', 'mkl_core', 'mkl_intel_ilp64']
+        mkl_libs = ['mkl_cdft_core', 'mkl_blacs_intelmpi_lp64']
+        mkl_libs += ['mkl_intel_lp64', 'mkl_sequential', 'mkl_core', 'mkl_intel_ilp64']
+        fftw_libs = ['fftw3xc_intel', 'fftw3xc_pgi']
         if LooseVersion(imklver) >= LooseVersion('11'):
             fftw_libs.extend(['fftw3x_cdft_ilp64', 'fftw3x_cdft_lp64'])
         else:
             fftw_libs.append('fftw3x_cdft')
 
-        for subdir in ['mkl/lib/intel64', 'compiler/lib/intel64', 'lib/em64t']:
+        if LooseVersion(imklver) >= LooseVersion('2021.4.0'):
+            imkl_fftw_module_path = os.path.join(moddir, 'imkl-FFTW', imklver)
+            imkl_fftw_dir = os.path.join(self.test_prefix, 'software', 'imkl-FFTW', imklver)
+            imkl_fftw_mod_txt = '\n'.join([
+                "#%Module",
+                "setenv EBROOTIMKLMINFFTW %s" % imkl_fftw_dir,
+                "setenv EBVERSIONIMKLMINFFTW %s" % imklver,
+            ])
+            write_file(imkl_fftw_module_path, imkl_fftw_mod_txt)
+
+            subdir = 'mkl/%s/lib/intel64' % imklver
             os.makedirs(os.path.join(imkl_dir, subdir))
-            for fftlib in fftw_libs:
+            for fftlib in mkl_libs:
                 write_file(os.path.join(imkl_dir, subdir, 'lib%s.a' % fftlib), 'foo')
+            subdir = 'lib'
+            os.makedirs(os.path.join(imkl_fftw_dir, subdir))
+            for fftlib in fftw_libs:
+                write_file(os.path.join(imkl_fftw_dir, subdir, 'lib%s.a' % fftlib), 'foo')
+        else:
+            for subdir in ['mkl/lib/intel64', 'compiler/lib/intel64', 'lib/em64t']:
+                os.makedirs(os.path.join(imkl_dir, subdir))
+                for fftlib in mkl_libs + fftw_libs:
+                    write_file(os.path.join(imkl_dir, subdir, 'lib%s.a' % fftlib), 'foo')
 
     def test_intel_toolchain(self):
         """Test for intel toolchain."""