git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15057 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/MAKE/OPTIONS/Makefile.knl

@@ -15,7 +15,7 @@ DEPFLAGS =	-M
 
 LINK =		mpiicpc
 LINKFLAGS =	-g -qopenmp $(OPTFLAGS)
-LIB =           -ltbbmalloc -ltbbmalloc_proxy
+LIB =           -ltbbmalloc
 SIZE =		size
 
 ARCHIVE =	ar

src/Purge.list

@@ -13,6 +13,9 @@ style_kspace.h
 style_minimize.h
 style_pair.h
 style_region.h
+# deleted on 11 May 2016
+pair_dpd_conservative.cpp
+pair_dpd_conservative.h
 # deleted on 21 Mar 2016
 verlet_intel.cpp
 verlet_intel.h

src/atom.h

@@ -87,9 +87,10 @@ class Atom : protected Pointers {
 
   // USER-DPD package
 
-  double *uCond, *uMech, *uChem, *uCGnew, *uCG;
-  double *duCond, *duMech, *duChem;
+  double *uCond,*uMech,*uChem,*uCGnew,*uCG;
+  double *duCond,*duMech,*duChem;
   double *dpdTheta;
+  int nspecies_dpd;
 
   // molecular info
 

src/memory.cpp

@@ -17,6 +17,11 @@
 #include "memory.h"
 #include "error.h"
 
+#if defined(LMP_USER_INTEL) && defined(__INTEL_COMPILER)
+#define LMP_USE_TBB_ALLOCATOR
+#include "tbb/scalable_allocator.h"
+#endif
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
@@ -33,8 +38,14 @@ void *Memory::smalloc(bigint nbytes, const char *name)
 
 #if defined(LAMMPS_MEMALIGN)
   void *ptr;
+
+#if defined(LMP_USE_TBB_ALLOCATOR)
+  ptr = scalable_aligned_malloc(nbytes, LAMMPS_MEMALIGN);
+#else
   int retval = posix_memalign(&ptr, LAMMPS_MEMALIGN, nbytes);
   if (retval) ptr = NULL;
+#endif
+
 #else
   void *ptr = malloc(nbytes);
 #endif
@@ -58,7 +69,11 @@ void *Memory::srealloc(void *ptr, bigint nbytes, const char *name)
     return NULL;
   }
 
+#if defined(LMP_USE_TBB_ALLOCATOR)
+  ptr = scalable_aligned_realloc(ptr, nbytes, LAMMPS_MEMALIGN);
+#else
   ptr = realloc(ptr,nbytes);
+#endif
   if (ptr == NULL) {
     char str[128];
     sprintf(str,"Failed to reallocate " BIGINT_FORMAT " bytes for array %s",
@@ -75,7 +90,11 @@ void *Memory::srealloc(void *ptr, bigint nbytes, const char *name)
 void Memory::sfree(void *ptr)
 {
   if (ptr == NULL) return;
+  #if defined(LMP_USE_TBB_ALLOCATOR)
+  scalable_aligned_free(ptr);
+  #else
   free(ptr);
+  #endif
 }
 
 /* ----------------------------------------------------------------------

src/modify.cpp

@@ -826,7 +826,7 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
 
   // increment nfix (if new)
   // set fix mask values
-  // post_construct() allows new fix to create other fixes
+  // post_constructor() allows new fix to create other fixes
   // nfix increment comes first so that recursive call to add_fix within
   //   post_constructor() will see updated nfix