git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14881 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/MAKE/README

@@ -69,8 +69,7 @@ Makefile.gpu                 GPU package, using default MPI
 Makefile.intel_cpu_intelmpi  USER-INTEL package for CPU with Intel MPI
 Makefile.intel_cpu_mpich     USER-INTEL package for CPU with MPICH
 Makefile.intel_cpu_openmpi   USER-INTEL package for CPU with OpenMPI
-Makefile.intel_phi           USER-INTEL package with Xeon Phi support
+Makefile.intel_coprocessor   USER-INTEL package with Xeon Phi support
-Makefile.intel_knl           USER-INTEL package with KNL support
 Makefile.knl                 USER-INTEL package with KNL support
 
 Makefile.kokkos_cuda_mpich   KOKKOS package with GPU support for MPICH

src/Make.py

@@ -93,13 +93,13 @@ def compile_check(compiler,ccflags,warn):
   if os.path.isfile("tmpauto.o"): os.remove("tmpauto.o")
   return flag
 
-# check if linker works with linkflags on tmpauto.o file
+# check if linker works with linkflags and libs on tmpauto.o file
 # return 1 if successful, else 0
 # warn = 1 = print warning if not successful, warn = 0 = no warning
 
-def link_check(linker,linkflags,warn):
+def link_check(linker,linkflags,libs,warn):
   open("tmpauto.cpp",'w').write("int main(int, char **) {}\n")
-  str = "%s %s -o tmpauto tmpauto.cpp" % (linker,linkflags)
+  str = "%s %s -o tmpauto tmpauto.cpp %s" % (linker,linkflags,libs)
   txt = commands.getoutput(str)
   flag = 1
   if txt or not os.path.isfile("tmpauto"):
@@ -298,18 +298,6 @@ class Actions:
         make.setvar("LINKFLAGS","-g")
         make.addvar("LINKFLAGS","-O")
         
-      # add CC and LINK flags
-
-      if flags:
-        for flag in flags.CC:
-          flag = "-" + flag
-          if flag[:2] == "-O": make.delvar("CCFLAGS","-O*")
-          make.addvar("CCFLAGS",flag)
-        for flag in flags.LINK:
-          flag = "-" + flag
-          if flag[:2] == "-O": make.delvar("LINKFLAGS","-O*")
-          make.addvar("LINKFLAGS",flag)
-
       # add MPI settings
 
       if mpi:
@@ -358,23 +346,48 @@ class Actions:
 
       if final["user-intel"]:
         if intel.mode == "cpu":
-          if compile_check(compiler,"-fopenmp",1):
+          make.delvar("CCFLAGS","-O*")
-            make.addvar("CCFLAGS","-fopenmp")
+          make.addvar("CCFLAGS","-O2")
-            make.addvar("LINKFLAGS","-fopenmp")
+          if compile_check(compiler,"-openmp",1):
-          make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64")
+            make.addvar("CCFLAGS","-openmp")
           if compile_check(compiler,"-restrict",1):
             make.addvar("CCFLAGS","-restrict")
-          if compile_check(compiler,"-xHost",1):
+          if compile_check(compiler,"-no-offload",1):
-            make.addvar("CCFLAGS","-xHost")
+            make.addvar("CCFLAGS","-no-offload")
-            make.addvar("LINKFLAGS","-xHost")
           if compile_check(compiler,"-fno-alias",1):
             make.addvar("CCFLAGS","-fno-alias")
           if compile_check(compiler,"-ansi-alias",1):
             make.addvar("CCFLAGS","-ansi-alias")
+          if compile_check(compiler,"-xAVX",1):
+            make.addvar("CCFLAGS","-xAVX")
+          if compile_check(compiler,"-fpmodel fast=2",1):
+            make.addvar("CCFLAGS","-fpmodel fast=2")
+          if compile_check(compiler,"-no-prec-div",1):
+            make.addvar("CCFLAGS","-no-prec-div")
           if compile_check(compiler,"-override-limits",1):
             make.addvar("CCFLAGS","-override-limits")
+          make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64")
           make.delvar("CCFLAGS","-DLMP_INTEL_OFFLOAD")
+
+          make.delvar("LINKFLAGS","-O*")
+          make.addvar("LINKFLAGS","-O2")
+          if link_check(linker,"-openmp","",1):
+            make.addvar("LINKFLAGS","-openmp")
+          if link_check(linker,"-xAVX","",1):
+            make.addvar("LINKFLAGS","-xAVX")
+          if link_check(linker,"-fpmodel fast=2","",1):
+            make.addvar("LINKFLAGS","-fpmodel fast=2")
+          if link_check(linker,"-no-prec-div","",1):
+            make.addvar("LINKFLAGS","-no-prec-div")
+          if link_check(linker,"-override-limits","",1):
+            make.addvar("LINKFLAGS","-override-limits")
           make.delvar("LINKFLAGS","-offload")
+
+          if link_check(linker,"","-ltbbmalloc",1):
+            make.addvar("LIB","-ltbbmalloc")
+          if link_check(linker,"","-ltbbmalloc_proxy",1):
+            make.addvar("LIB","-ltbbmalloc_proxy")
+            
         elif intel.mode == "phi":
           if compile_check(compiler,"-fopenmp",1):
             make.addvar("CCFLAGS","-fopenmp")
@@ -397,7 +410,7 @@ class Actions:
             make.addvar("CCFLAGS",'-offload-option,mic,compiler,' +
                         '"-fp-model fast=2 -mGLOB_default_function_attrs=' +
                         '\\"gather_scatter_loop_unroll=4\\""')
-          if link_check(linker,"-offload",1):
+          if link_check(linker,"-offload","",1):
             make.addvar("LINKFLAGS","-offload")
 
       if final["kokkos"]:
@@ -485,6 +498,18 @@ class Actions:
             if png.incdir: make.addvar("JPG_INC","-I%s" % png.incdir)
             if png.libdir: make.addvar("JPG_PATH","-L%s" % png.libdir)
 
+      # finally after all other settings, add explicit flags
+
+      if flags:
+        for var,action,flist in flags.flags:
+          values = make.getvar(var)
+          if values == None:
+            error("Flags for a non-existent Makefile.auto variable")
+          for flag in flist:
+            flag = "-" + flag
+            if action == "add": make.addvar(var,flag)
+            elif action == "del": make.delvar(var,flag)
+
     # set self.stubs if Makefile.auto uses STUBS lib in MPI settings
 
     if make.getvar("MPI_LIB") and "-lmpi_stubs" in make.getvar("MPI_LIB"):
@@ -506,9 +531,10 @@ class Actions:
     ccflags = ' '.join(make.getvar("CCFLAGS"))
     linker = precompiler + ' '.join(make.getvar("LINK"))
     linkflags = ' '.join(make.getvar("LINKFLAGS"))
+    libs = ' '.join(make.getvar("LIB"))
     if not compile_check(compiler,ccflags,1):
       error("Test of compilation failed")
-    if not link_check(linker,linkflags,1): error("Test of link failed")
+    if not link_check(linker,linkflags,libs,1): error("Test of link failed")
 
   # invoke "make clean-auto" to force clean before build
     
@@ -1720,36 +1746,42 @@ class Cc:
 class Flags:
   def __init__(self,list):
     self.inlist = copy.copy(list)
-    self.CC = []
+    self.flags = []
-    self.LINK = []
     
   def help(self):
     return """
--flags flag f1 f2 ... flag f1 f2 ... 
+-flags var action N f1 f2 ... var action N f1 f2 ... 
-  alter CCFLAGS or LINKFLAGS settings in Makefile.auto
+  alter variable settings (flags) in Makefile.auto
     only happens if new Makefile.auto is created by use of "file" action
-  flag = CC or LINK
+  var = CCFLAGS, LINKFLAGS, LIB, etc
-    one or both can be specified
+    any variable in Makefile.auto, must already exist
-  f1,f2,etc = flag to add or replace
+  action = add or del
-    "-" char will be prepended to each
+  N = # of flags to follow
-    for example: g, O3, xHost, "fp-model fast=2"
+  f1,f2,etc = flag to add or delete
-    will become: -g, -O3, -xHost, -fp-model fast=2
+    "-" char will be prepended to each flag
+      for example: add 4 g O3 xHost "fp-model fast=2"
+      will add: -g -O3 -xHost -fp-model fast=2
+    for add: if flag already exists, no change is made
+    for delete: flag of form "-O*", will delete any wildcard match
     for -O,-O2,-O3,etc: existing -O* will first be removed
 """
 
   def check(self):
     if len(self.inlist) < 1: error("-flags args are invalid")
-    self.CC = []     # necessary?
+    narg = len(self.inlist)
-    self.LINK = []
+    i = 0
-    mode = ""
+    while i < narg:
-    for one in self.inlist:
+      if i+3 > narg: error("-flags args are invalid")
-      if one == "CC": mode = "CC"
+      var = self.inlist[i]
-      elif one == "LINK": mode = "LINK"
+      action = self.inlist[i+1]
-      else:
+      if action != "add" and action != "del": error("-flags args are invalid")
-        if not mode: error("-flags args are invalid")
+      nflag = int(self.inlist[i+2])
-        if mode == "CC": self.CC.append(one)
+      i += 3
-        elif mode == "LINK": self.LINK.append(one)
+      if i+nflag > narg: error("-flags args are invalid")
-    
+      flags = self.inlist[i:i+nflag]
+      self.flags.append([var,action,flags])
+      i += nflag
+      
 # Mpi class
 
 class Mpi:
@@ -1941,7 +1973,8 @@ class MakeReader:
     # varinfo = list of variable info: (name, name with whitespace for print)
     # add index into varinfo to newlines
     # ccindex = index of "CC =" line, to add OMPI var before it
-    # lmpindex = index of "LAMMPS-specific settings" line to add KOKKOS vars before it
+    # lmpindex = index of "LAMMPS-specific settings"
+    #   line to add KOKKOS vars before it
     
     var = {}
     varinfo = []