Adding full hybrid support to USER-INTEL package and fixing bug with EAM parameter initialization.

2018-10-11 05:12:00 -07:00
parent 7faa48b4c3
commit c37deebffa
42 changed files with 1442 additions and 566 deletions
--- a/src/memory.cpp
+++ b/src/memory.cpp
@ -79,7 +79,9 @@ void *Memory::srealloc(void *ptr, bigint nbytes, const char *name)

 #if defined(LMP_USE_TBB_ALLOCATOR)
  ptr = scalable_aligned_realloc(ptr, nbytes, LAMMPS_MEMALIGN);
-#elif defined(LMP_INTEL_NO_TBB) && defined(LAMMPS_MEMALIGN)
+#elif defined(LMP_INTEL_NO_TBB) && defined(LAMMPS_MEMALIGN) && \
+      defined(__INTEL_COMPILER)
+
  ptr = realloc(ptr, nbytes);
  uintptr_t offset = ((uintptr_t)(const void *)(ptr)) % LAMMPS_MEMALIGN;
  if (offset) {