From 29b5fce5e4670dd001ea3f4284c5294a6c8f63d1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 31 Jan 2025 21:20:44 -0500
Subject: [PATCH] do not define __INTEL_COMPILER to __INTEL_LLVM_COMPILER
 instead test for either

This shortcut will create problems for features that do not exist for
the Intel LLVM based compiler.
---
 src/INTEL/fix_intel.cpp             | 6 +++---
 src/INTEL/intel_intrinsics_airebo.h | 2 +-
 src/INTEL/intel_preprocess.h        | 5 ++---
 src/INTEL/npair_intel.cpp           | 8 ++++----
 src/INTEL/pair_sw_intel.cpp         | 3 +--
 src/INTEL/pair_tersoff_intel.cpp    | 2 +-
 src/INTEL/pair_tersoff_intel.h      | 4 ++--
 7 files changed, 14 insertions(+), 16 deletions(-)

diff --git a/src/INTEL/fix_intel.cpp b/src/INTEL/fix_intel.cpp
index 150d3913bc..7e82d3a63b 100644
--- a/src/INTEL/fix_intel.cpp
+++ b/src/INTEL/fix_intel.cpp
@@ -210,7 +210,7 @@ FixIntel::FixIntel(LAMMPS *lmp, int narg, char **arg) :  Fix(lmp, narg, arg)
   // nomp is user setting, default = 0
 
   #if defined(_OPENMP)
-  #if defined(__INTEL_COMPILER)
+  #if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)
   kmp_set_blocktime(0);
   #endif
   if (nomp != 0) {
@@ -449,8 +449,8 @@ void FixIntel::pair_init_check(const bool cdmessage)
         __INTEL_COMPILER_BUILD_DATE < 20141023)
       error->warning(FLERR,"Unsupported Intel Compiler.");
     #endif
-    #if !defined(__INTEL_COMPILER)
-    error->warning(FLERR,"Unsupported Intel Compiler.");
+    #if !defined(__INTEL_COMPILER) && !defined(__INTEL_LLVM_COMPILER)
+      error->warning(FLERR,"Unsupported Intel Compiler.");
     #endif
   }
 
diff --git a/src/INTEL/intel_intrinsics_airebo.h b/src/INTEL/intel_intrinsics_airebo.h
index 41b147ae3c..298dc45360 100644
--- a/src/INTEL/intel_intrinsics_airebo.h
+++ b/src/INTEL/intel_intrinsics_airebo.h
@@ -1,6 +1,6 @@
 // clang-format off
 #ifndef LMP_INTEL_AIREBO_SCALAR
-# ifdef __INTEL_COMPILER
+# if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)
 #  if defined(__MIC__) || defined(__AVX512F__)
 #   define LMP_INTEL_AIREBO_512
 #  elif defined(__AVX__)
diff --git a/src/INTEL/intel_preprocess.h b/src/INTEL/intel_preprocess.h
index 2c4b9a0c1b..50d0cd6b5d 100644
--- a/src/INTEL/intel_preprocess.h
+++ b/src/INTEL/intel_preprocess.h
@@ -20,7 +20,6 @@
 
 #ifdef __INTEL_LLVM_COMPILER
 #define USE_OMP_SIMD
-#define __INTEL_COMPILER __INTEL_LLVM_COMPILER
 #define __INTEL_COMPILER_BUILD_DATE __INTEL_LLVM_COMPILER
 // Indicate to vectorizer that it is safe to use dword indexed gather
 #define IP_PRE_dword_index(i) ((i) & NEIGHMASK)
@@ -28,7 +27,7 @@
 #define IP_PRE_dword_index(i) i
 #endif
 
-#ifdef __INTEL_COMPILER
+#if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)
 #define LMP_SIMD_COMPILER
 #if (__INTEL_COMPILER_BUILD_DATE > 20160720)
 #define LMP_INTEL_USE_SIMDOFF
@@ -87,7 +86,7 @@ enum {TIME_PACK, TIME_HOST_NEIGHBOR, TIME_HOST_PAIR, TIME_OFFLOAD_NEIGHBOR,
 #define INTEL_P3M_MAXORDER 8
 #define INTEL_P3M_ALIGNED_MAXORDER 8
 
-#ifdef __INTEL_COMPILER
+#if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)
 #ifdef __AVX__
 #undef INTEL_VECTOR_WIDTH
 #define INTEL_VECTOR_WIDTH 8
diff --git a/src/INTEL/npair_intel.cpp b/src/INTEL/npair_intel.cpp
index dcfb66e05f..9929fb9a21 100644
--- a/src/INTEL/npair_intel.cpp
+++ b/src/INTEL/npair_intel.cpp
@@ -777,14 +777,14 @@ void NPairIntel::bin_newton(const int offload, NeighList *list,
           int * _noalias jlist = firstneigh[i];
           int jnum = numneigh[i];
           if (!THREE) IP_PRE_neighbor_pad(jnum, offload);
-          #if __INTEL_COMPILER+0 > 1499
-#if defined(USE_OMP_SIMD)
+          #if (__INTEL_COMPILER+0 > 1499) || __INTEL_LLVM_COMPILER
+          #if defined(USE_OMP_SIMD)
           #pragma omp simd reduction(max:vlmax,vgmax) \
             reduction(min:vlmin, vgmin)
-#else
+          #else
           #pragma simd reduction(max:vlmax,vgmax) \
             reduction(min:vlmin, vgmin)
-#endif
+          #endif
           #pragma vector aligned
           #endif
           for (int jj = 0; jj < jnum; jj++) {
diff --git a/src/INTEL/pair_sw_intel.cpp b/src/INTEL/pair_sw_intel.cpp
index 35a091aef2..fcc9e6b700 100644
--- a/src/INTEL/pair_sw_intel.cpp
+++ b/src/INTEL/pair_sw_intel.cpp
@@ -1131,8 +1131,7 @@ void PairSWIntel::init_style()
 
   #if defined(__INTEL_COMPILER)
   if (__INTEL_COMPILER_BUILD_DATE < 20141023)
-    error->all(FLERR, "Intel compiler versions before "
-               "15 Update 1 not supported for sw/intel");
+    error->all(FLERR, "Intel compiler versions before 15 Update 1 not supported for sw/intel");
   #endif
 }
 
diff --git a/src/INTEL/pair_tersoff_intel.cpp b/src/INTEL/pair_tersoff_intel.cpp
index 758eca21ec..67e1d981f4 100644
--- a/src/INTEL/pair_tersoff_intel.cpp
+++ b/src/INTEL/pair_tersoff_intel.cpp
@@ -28,7 +28,7 @@
 using namespace LAMMPS_NS;
 
 // Currently the Intel compiler is required for this pair style.
-#ifdef __INTEL_COMPILER
+#if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)
 
 #ifdef _LMP_INTEL_OFFLOAD
 #pragma offload_attribute(push,target(mic))
diff --git a/src/INTEL/pair_tersoff_intel.h b/src/INTEL/pair_tersoff_intel.h
index abbca51809..cffc32d02a 100644
--- a/src/INTEL/pair_tersoff_intel.h
+++ b/src/INTEL/pair_tersoff_intel.h
@@ -15,7 +15,7 @@
 #ifdef PAIR_CLASS
 // clang-format off
 // Currently the Intel compilers are required for this pair style.
-#ifdef __INTEL_COMPILER
+#if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)
 PairStyle(tersoff/intel,PairTersoffIntel);
 #endif
 // clang-format on
@@ -28,7 +28,7 @@ PairStyle(tersoff/intel,PairTersoffIntel);
 #include "pair.h"
 #include "pair_tersoff.h"
 
-#ifdef __INTEL_COMPILER
+#if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER)
 
 namespace LAMMPS_NS {