From bf2bb81f009f5e806fe8d76559bff2cf2a194c71 Mon Sep 17 00:00:00 2001
From: "Kurt A. O'Hearn" <ohearnk@msu.edu>
Date: Tue, 29 May 2018 12:33:53 -0400
Subject: [PATCH] PG-PuReMD: update build system for LAPACKE. Conditionally
include LAPACKE header based on results of compilation.
---
PG-PuReMD/configure.ac | 33 +++++++++++++++++++++++++++++++--
PG-PuReMD/src/lin_alg.c | 8 ++++++++
2 files changed, 39 insertions(+), 2 deletions(-)
diff --git a/PG-PuReMD/configure.ac b/PG-PuReMD/configure.ac
index b0e53e5f..7694620e 100644
--- a/PG-PuReMD/configure.ac
+++ b/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 ])
diff --git a/PG-PuReMD/src/lin_alg.c b/PG-PuReMD/src/lin_alg.c
index 33c2c6a8..178efee2 100644
--- a/PG-PuReMD/src/lin_alg.c
+++ b/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
--
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