git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12331 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/USER-INTEL/Install.sh

@@ -67,41 +67,3 @@ elif (test $mode = 0) then
   touch ../accelerator_intel.h
 
 fi
-
-# step 3: map omp styles that are not in the intel package to intel suffix
-
-#if (test $mode = 0) then
-#
-#  rm -f ../*ompinto_intel*
-#
-#else
-#
-#  echo "  The 'intel' suffix will use the USER-OMP package for all"
-#  echo "  angle, bond, dihedral, kspace, and improper styles:"
-#  stylelist="pair fix angle bond dihedral improper"
-#  for header in $stylelist; do
-#    HEADER=`echo $header | sed 's/\(.*\)/\U\1/'`
-#    outfile=../$header"_ompinto_intel.h"
-#    echo "    Creating $header style map: $outfile"
-#    echo -n "// -- Header to map USER-OMP " > $outfile  
-#    echo "styles to the intel suffix" >> $outfile
-#    echo >> $outfile
-#    echo "#ifdef "$HEADER"_CLASS" >> $outfile
-#    grep -h 'Style(' ../$header*_omp.h | grep -v 'charmm/coul/long' | \
-#	grep -v 'lj/cut' | grep -v 'gayberne' | \
-#	sed 's/\/omp/\/intel/g' >> $outfile
-#    echo "#endif" >> $outfile
-#  done
-#
-#  header="kspace"
-#  HEADER="KSPACE"
-#  outfile=../$header"_ompinto_intel.h"
-#  echo "    Creating $header style map: $outfile"
-#  echo -n "// -- Header to map USER-OMP " > $outfile  
-#  echo "styles to the intel suffix" >> $outfile
-#  echo >> $outfile
-#  echo "#ifdef "$HEADER"_CLASS" >> $outfile
-#  grep -h 'KSpaceStyle(' ../*_omp.h | sed 's/\/omp/\/intel/g' >> $outfile
-#  echo "#endif" >> $outfile
-#
-#fi

src/input.cpp

@@ -1440,30 +1440,6 @@ void Input::package()
     delete [] fixarg;
 
  } else if (strcmp(arg[0],"intel") == 0) {
-
-    // add omp package for non-pair routines
-
-    /*
-    char **fixarg = new char*[2+narg];
-    fixarg[0] = (char *) "package_omp";
-    fixarg[1] = (char *) "all";
-    fixarg[2] = (char *) "OMP";
-    int omp_narg = 3;
-    if (narg > 1) {
-      fixarg[3] = arg[1];
-      omp_narg++;
-      if (narg > 2)
-	for (int i = 2; i < narg; i++)
-	  if (strcmp(arg[i],"mixed") == 0) {
-	    fixarg[4] = arg[i];
-	    omp_narg++;
-	  }
-    }
-    modify->add_fix(omp_narg,fixarg);
-
-    // add intel package for neighbor and pair routines
-    */
-
     if (!modify->check_package("Intel"))
       error->all(FLERR,
                  "Package intel command without USER-INTEL package installed");
@@ -1476,17 +1452,12 @@ void Input::package()
     modify->add_fix(2+narg,fixarg);
     delete [] fixarg;
 
-    /*
+    // set integrator = verlet/intel
-    // if running with offload, set run_style to verlet/intel
+    // -sf intel does same thing in Update constructor via suffix
 
-    #ifdef LMP_INTEL_OFFLOAD
-    #ifdef __INTEL_OFFLOAD
     char *str;
     str = (char *) "verlet/intel";
     update->create_integrate(1,&str,0);
-    #endif
-    #endif
-    */
 
   } else error->all(FLERR,"Illegal package command");
 }

src/integrate.cpp

@@ -53,6 +53,15 @@ void Integrate::init()
   else pair_compute_flag = 0;
   if (force->kspace && force->kspace->compute_flag) kspace_compute_flag = 1;
   else kspace_compute_flag = 0;
+
+  // should add checks:
+  // for any acceleration package that has its own integrate/minimize
+  // in case input script has reset the run or minimize style explicitly
+  // e.g. invalid to have intel pair style with non-intel verlet
+  // but OK to have intel verlet with non intel pair style (just warn)
+  // ditto for USER-CUDA and KOKKOS package verlet with their pair, fix, etc
+  // making these checks would require all the pair, fix, etc styles have
+  //   cuda, kokkos, intel flags
 }
 
 /* ----------------------------------------------------------------------

src/lammps.h

@@ -47,9 +47,6 @@ class LAMMPS {
   int cite_enable;               // 1 if generating log.cite, 0 if disabled
 
   class Cuda *cuda;              // CUDA accelerator class
-  //class GPU *gpu;                // GPU accelerator class
-  //class Intel *intel;            // Intel accelerator class
-  //class OMP *omp;                // OMP accelerator class
   class KokkosLMP *kokkos;       // KOKKOS accelerator class
 
   class CiteMe *citeme;          // citation info