PG-PuReMD: update build system for LAPACKE. Conditionally include LAPACKE...

PG-PuReMD: update build system for LAPACKE. Conditionally include LAPACKE header based on results of compilation.

PG-PuReMD/configure.ac

@@ -132,14 +132,43 @@ fi
 AC_SUBST(MPI_CFLAGS)
 AC_SUBST(MPI_LIBS)
 
+# Check for LAPACKE
+AC_CHECK_HEADERS([mkl.h], [MKL_FOUND_HEADERS="yes"])
+if test "x${MKL_FOUND_HEADERS}" = "xyes"
+then
+	AC_SEARCH_LIBS([LAPACKE_dgels], [mkl_intel_ilp64],
+		       [MKL_FOUND_LIBS="yes"], [MKL_FOUND_LIBS="no"],
+		       [-lmkl_sequential -lmkl_core -lpthread -lm -ldl])
+	AS_IF([test "x${MKL_FOUND_LIBS}" != "xyes"],
+	      [AC_MSG_ERROR([Unable to find MKL LAPACKE library.])])
+	LIBS="${LIBS} -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lpthread -lm -ldl"
+	AC_DEFINE([HAVE_LAPACKE_MKL], [1], [Define to 1 if you have MKL LAPACKE support enabled.])
+else
+	AC_CHECK_HEADERS([lapacke.h], [LAPACKE_FOUND_HEADERS="yes"])
+	if test "x${LAPACKE_FOUND_HEADERS}" = "xyes"
+	then
+		AC_SEARCH_LIBS([LAPACKE_dgels], [lapacke],
+			       [LAPACKE_FOUND_LIBS="yes"], [LAPACKE_FOUND_LIBS="no"],
+			       [-llapack])
+		AS_IF([test "x${LAPACKE_FOUND_LIBS}" != "xyes"],
+		      [AC_MSG_ERROR([Unable to find LAPACKE library.])])
+		LIBS="${LIBS} -llapack"
+		AC_DEFINE([HAVE_LAPACKE], [1], [Define to 1 if you have LAPACKE support enabled.])
+	else
+		AC_MSG_WARN([
+  -----------------------------------------------
+   Unable to find LAPACKE on this system.
+   Disabling support for dependent methods.
+  -----------------------------------------------])
+	fi
+fi
+
 AC_LANG([C++])
 
 # Checks for programs.
 AC_PROG_CXX([icpc g++ clang++ c++])
 AC_PROG_CXXCPP
 
-AX_COMPILER_VENDOR
-
 # Check for CUDA support.
 if test "x${BUILD_GPU}" = "xyes"; then
 	CONFIGURE_HEADLINE([ CUDA support ])

PG-PuReMD/src/lin_alg.c

@@ -28,6 +28,14 @@
 #include "tool_box.h"
 #include "vector.h"
 
+/* Intel MKL */
+#if defined(HAVE_LAPACKE_MKL)
+  #include "mkl.h"
+/* reference LAPACK */
+#elif defined(HAVE_LAPACKE)
+  #include "lapacke.h"
+#endif
+
 #if defined(HAVE_CUDA) && defined(DEBUG)
 #include "cuda/cuda_validation.h"
 #endif