fixed CMake/IntelCompilers.cmake for setting proper macros based on CPU flags.

fixed a printf syntax and argument mismatch.


git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6592 e5b18d87-469d-4833-9cc0-8cdfa06e9491

CMake/IntelCompilers.cmake

@@ -9,6 +9,7 @@ add_definitions(-DADD_ -DINLINE_ALL=inline)
 set(ENABLE_OPENMP 1)
 set(INTEL_OPTS "-g -restrict -unroll -O3 -ip -openmp")
 
+#MESSAGE(STATUS "CPU_IDENTITY ${CPU_IDENTITY}")
 
 #grep icpc version and determine what options to be used
 exec_program(icpc  
@@ -30,13 +31,6 @@ ELSE(ICPC_VERSION LESS 11)
   ENDIF(ICPC_MINOR_VERSION LESS 1)
 ENDIF(ICPC_VERSION LESS 11)
 
-#check if -xHost is accepted
-SET(CMAKE_TRY_ICC_FLAGS "-xHost")
-CHECK_C_COMPILER_FLAG(${CMAKE_TRY_ICC_FLAGS} INTEL_CC_FLAGS)
-IF(INTEL_CC_FLAGS)
-  SET(INTEL_OPTS "${INTEL_OPTS} ${CMAKE_TRY_ICC_FLAGS}")
-ENDIF(INTEL_CC_FLAGS)
-
 #check if -ftz is accepted
 SET(CMAKE_TRY_ICC_FLAGS "-ftz")
 CHECK_C_COMPILER_FLAG(${CMAKE_TRY_ICC_FLAGS} INTEL_CC_FLAGS)
@@ -50,79 +44,116 @@ ELSE(ICC_DEPRECATED_OPTS)
   set(INTEL_OPTS "${INTEL_OPTS} -opt-prefetch")
 ENDIF(ICC_DEPRECATED_OPTS)
 
-#exec_program(grep  
+exec_program(grep  
-#  ARGS flags /proc/cpuinfo
+  ARGS flags /proc/cpuinfo
-#  OUTPUT_VARIABLE CPU_FLAGS
+  OUTPUT_VARIABLE CPU_FLAGS
-#  RETURN_VALUE CPUINFO
+  RETURN_VALUE CPUINFO
-#  )
+  )
-#
-#SET(HAVE_SSE4_2 0)
-#SET(HAVE_SSE4_1 0)
-#SET(HAVE_SSSE3 0)
-#SET(HAVE_SSE3 0)
-#SET(HAVE_SSE2 0)
-#SET(HAVE_SSE 0)
-#
-#if(CPU_FLAGS MATCHES "sse4_2")
-#  IF(ICC_DEPRECATED_OPTS)
-#    MESSAGE(WARNING "SSE4.2 needs version 11.1 and higher.")
-#  ELSE(ICC_DEPRECATED_OPTS)
-#    SET(HAVE_SSE4_2 1)
-#    IF(NOT SSE_OPT_SET)
-#      SET(SSE_OPT_SET TRUE)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xSSE4.2")
-#    ENDIF(NOT SSE_OPT_SET)
-#  ENDIF(ICC_DEPRECATED_OPTS)
-#endif(CPU_FLAGS MATCHES "sse4_2")
-#
-#if(CPU_FLAGS MATCHES "sse4_1")
-#  SET(HAVE_SSE4_1 1)
-#  IF(NOT SSE_OPT_SET)
-#    SET(SSE_OPT_SET TRUE)
-#    IF(ICC_DEPRECATED_OPTS)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xS")
-#    ELSE(ICC_DEPRECATED_OPTS)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xSSE4.1")
-#    ENDIF(ICC_DEPRECATED_OPTS)
-#  ENDIF(NOT SSE_OPT_SET)
-#endif(CPU_FLAGS MATCHES "sse4_1")
-#
-#if(CPU_FLAGS MATCHES "ssse3")
-#  SET(HAVE_SSSE3 1)
-#  IF(NOT SSE_OPT_SET)
-#    SET(SSE_OPT_SET TRUE)
-#    IF(ICC_DEPRECATED_OPTS)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xT")
-#    ELSE(ICC_DEPRECATED_OPTS)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xSSSE3")
-#    ENDIF(ICC_DEPRECATED_OPTS)
-#  ENDIF(NOT SSE_OPT_SET)
-#endif(CPU_FLAGS MATCHES "ssse3")
-#
-#if(CPU_FLAGS MATCHES "sse3")
-#  SET(HAVE_SSE3 1)
-#  IF(NOT SSE_OPT_SET)
-#    SET(SSE_OPT_SET TRUE)
-#    IF(ICC_DEPRECATED_OPTS)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xP")
-#    ELSE(ICC_DEPRECATED_OPTS)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xSSE3")
-#    ENDIF(ICC_DEPRECATED_OPTS)
-#  ENDIF(NOT SSE_OPT_SET)
-#endif(CPU_FLAGS MATCHES "sse3")
-#
-#if(CPU_FLAGS MATCHES "sse2")
-#  SET(HAVE_SSE2 1)
-#  IF(NOT SSE_OPT_SET)
-#    SET(SSE_OPT_SET TRUE)
-#    IF(ICC_DEPRECATED_OPTS)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xN")
-#    ELSE(ICC_DEPRECATED_OPTS)
-#      SET(INTEL_OPTS "${INTEL_OPTS} -xSSE2")
-#    ENDIF(ICC_DEPRECATED_OPTS)
-#  ENDIF(NOT SSE_OPT_SET)
-#endif(CPU_FLAGS MATCHES "sse2")
 
+# not all the flags are used by the code
+SET(HAVE_AVX2 0)
+SET(HAVE_AVX 0)
+SET(HAVE_SSE42 0)
+SET(HAVE_SSE41 0)
+SET(HAVE_SSSE3 0)
+SET(HAVE_SSE3 0)
+SET(HAVE_SSE2 0)
+SET(HAVE_SSE 0)
+
+#check if -xHost is accepted
+SET(CMAKE_TRY_ICC_FLAGS "-xHost")
+CHECK_C_COMPILER_FLAG(${CMAKE_TRY_ICC_FLAGS} INTEL_CC_FLAGS)
+IF(INTEL_CC_FLAGS)
+  SET(INTEL_OPTS "${INTEL_OPTS} ${CMAKE_TRY_ICC_FLAGS}")
+  SET(SSE_OPT_SET TRUE)
+ELSE(INTEL_CC_FLAGS)
+  SET(SSE_OPT_SET FALSE)
+ENDIF(INTEL_CC_FLAGS)
+
+if(CPU_FLAGS MATCHES "avx2")
+  SET(HAVE_AVX2 1)
+  IF(NOT SSE_OPT_SET)
+    IF(ICC_DEPRECATED_OPTS)
+      MESSAGE(WARNING "AVX2 needs version 14.0 and higher.")
+    ELSE(ICC_DEPRECATED_OPTS)
+      SET(SSE_OPT_SET TRUE)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xCORE-AVX2")
+    ENDIF(ICC_DEPRECATED_OPTS)
+  ENDIF(NOT SSE_OPT_SET)
+endif(CPU_FLAGS MATCHES "avx2")
+
+if(CPU_FLAGS MATCHES "avx")
+  SET(HAVE_AVX 1)
+  IF(NOT SSE_OPT_SET)
+    IF(ICC_DEPRECATED_OPTS)
+      MESSAGE(WARNING "AVX needs version 11.1 and higher.")
+    ELSE(ICC_DEPRECATED_OPTS)
+      SET(SSE_OPT_SET TRUE)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xAVX")
+    ENDIF(ICC_DEPRECATED_OPTS)
+  ENDIF(NOT SSE_OPT_SET)
+endif(CPU_FLAGS MATCHES "avx")
+
+if(CPU_FLAGS MATCHES "sse4_2")
+  SET(HAVE_SSE42 1)
+  IF(NOT SSE_OPT_SET)
+    IF(ICC_DEPRECATED_OPTS)
+      MESSAGE(WARNING "SSE4.2 needs version 11.1 and higher.")
+    ELSE(ICC_DEPRECATED_OPTS)
+      SET(SSE_OPT_SET TRUE)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xSSE4.2")
+    ENDIF(ICC_DEPRECATED_OPTS)
+  ENDIF(NOT SSE_OPT_SET)
+endif(CPU_FLAGS MATCHES "sse4_2")
+
+if(CPU_FLAGS MATCHES "sse4_1")
+  SET(HAVE_SSE41 1)
+  IF(NOT SSE_OPT_SET)
+    SET(SSE_OPT_SET TRUE)
+    IF(ICC_DEPRECATED_OPTS)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xS")
+    ELSE(ICC_DEPRECATED_OPTS)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xSSE4.1")
+    ENDIF(ICC_DEPRECATED_OPTS)
+  ENDIF(NOT SSE_OPT_SET)
+endif(CPU_FLAGS MATCHES "sse4_1")
+
+if(CPU_FLAGS MATCHES "ssse3")
+  SET(HAVE_SSSE3 1)
+  IF(NOT SSE_OPT_SET)
+    SET(SSE_OPT_SET TRUE)
+    IF(ICC_DEPRECATED_OPTS)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xT")
+    ELSE(ICC_DEPRECATED_OPTS)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xSSSE3")
+    ENDIF(ICC_DEPRECATED_OPTS)
+  ENDIF(NOT SSE_OPT_SET)
+endif(CPU_FLAGS MATCHES "ssse3")
+
+if(CPU_FLAGS MATCHES "sse3")
+  SET(HAVE_SSE3 1)
+  IF(NOT SSE_OPT_SET)
+    SET(SSE_OPT_SET TRUE)
+    IF(ICC_DEPRECATED_OPTS)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xP")
+    ELSE(ICC_DEPRECATED_OPTS)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xSSE3")
+    ENDIF(ICC_DEPRECATED_OPTS)
+  ENDIF(NOT SSE_OPT_SET)
+endif(CPU_FLAGS MATCHES "sse3")
+
+if(CPU_FLAGS MATCHES "sse2")
+  SET(HAVE_SSE2 1)
+  SET(HAVE_SSE 1)
+  IF(NOT SSE_OPT_SET)
+    SET(SSE_OPT_SET TRUE)
+    IF(ICC_DEPRECATED_OPTS)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xN")
+    ELSE(ICC_DEPRECATED_OPTS)
+      SET(INTEL_OPTS "${INTEL_OPTS} -xSSE2")
+    ENDIF(ICC_DEPRECATED_OPTS)
+  ENDIF(NOT SSE_OPT_SET)
+endif(CPU_FLAGS MATCHES "sse2")
 
 set(CMAKE_CXX_FLAGS "${INTEL_OPTS} $ENV{CXX_FLAGS} -Wno-deprecated")
 set(CMAKE_C_FLAGS "${INTEL_OPTS} $ENV{CC_FLAGS} -std=c99 -Wno-deprecated")

CMakeLists.txt

@@ -588,6 +588,9 @@ ENDIF(HDF5_FOUND)
 
 #make sure we can find boost if it's not in /usr
 set(Boost_NO_BOOST_CMAKE on)
+IF($ENV{BOOST_HOME} MATCHES ".")
+  set(BOOST_ROOT $ENV{BOOST_HOME})
+ENDIF()
 find_package(Boost REQUIRED)
 IF(Boost_FOUND)
   SET(HAVE_LIBBOOST 1)

src/QMCHamiltonians/EnergyDensityEstimator.cpp

@@ -413,7 +413,7 @@ void EnergyDensityEstimator::write_nonzero_domains(const ParticleSet& P)
     }
     if(nonzero)
     {
-      fprintf(stdout,"  %d %e %e %e %e %e %e\n",i,P.Collectables[n],
+      fprintf(stdout,"  %d %e %e %e\n",i,P.Collectables[n],
               P.Collectables[n+1],
               P.Collectables[n+2]);
     }