git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6767 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/GPU/Install.sh

@@ -45,6 +45,11 @@ if (test $1 = 1) then
     cp pair_lj_charmm_coul_long_gpu.h ..
   fi
 
+  if (test -e ../pair_coul_long.cpp) then
+    cp pair_coul_long_gpu.cpp ..
+    cp pair_coul_long_gpu.h ..
+  fi
+
   if (test -e ../pair_cg_cmm.cpp) then
     cp pair_cg_cmm_gpu.cpp ..
     cp pair_cg_cmm_gpu.h ..
@@ -112,6 +117,7 @@ elif (test $1 = 0) then
   rm -f ../pair_lj_class2_coul_long_gpu.cpp
   rm -f ../pair_lj_charmm_coul_long_gpu.cpp
   rm -f ../pair_lj_cut_tgpu.cpp
+  rm -f ../pair_coul_long_gpu.cpp
   rm -f ../pair_cg_cmm_gpu.cpp
   rm -f ../pair_cg_cmm_coul_long_gpu.cpp
   rm -f ../pair_cg_cmm_coul_msm.cpp
@@ -134,6 +140,7 @@ elif (test $1 = 0) then
   rm -f ../pair_lj_class2_coul_long_gpu.h
   rm -f ../pair_lj_charmm_coul_long_gpu.h
   rm -f ../pair_lj_cut_tgpu.h
+  rm -f ../pair_coul_long_gpu.h
   rm -f ../pair_cg_cmm_gpu.h
   rm -f ../pair_cg_cmm_coul_long_gpu.h
   rm -f ../pair_cg_cmm_coul_msm.h

src/GPU/Package.sh

@@ -15,6 +15,12 @@ for file in *.cpp *.h; do
   if (test $file = pair_lj_cut_coul_long_gpu.h -a ! -e ../pair_lj_cut_coul_long.cpp) then
     continue
   fi
+  if (test $file = pair_coul_long_gpu.cpp -a ! -e ../pair_coul_long.cpp) then
+    continue
+  fi
+  if (test $file = pair_coul_long_gpu.h -a ! -e ../pair_coul_long.cpp) then
+    continue
+  fi
   if (test $file = pair_cg_cmm_gpu.cpp -a ! -e ../pair_cg_cmm.cpp) then
     continue
   fi

src/GPU/pair_cg_cmm_coul_long_gpu.cpp

@@ -144,9 +144,9 @@ void PairCGCMMCoulLongGPU::init_style()
   cut_respa = NULL;
 
   if (!atom->q_flag)
-    error->all("Pair style cg/cmm/coul/long requires atom attribute q");
+    error->all("Pair style cg/cmm/coul/long/gpu requires atom attribute q");
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU cg/cmm pair style");
+    error->all("Cannot use newton pair with cg/cmm/coul/long/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_cg_cmm_coul_msm_gpu.cpp

@@ -136,7 +136,7 @@ void PairCGCMMCoulMSMGPU::init_style()
 {
   PairCGCMMCoulMSM::init_style();
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU cg/cmm pair style");
+    error->all("Cannot use newton pair with cg/cmm/coul/msm/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_gayberne_gpu.cpp

@@ -156,9 +156,9 @@ void PairGayBerneGPU::compute(int eflag, int vflag)
 void PairGayBerneGPU::init_style()
 {
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU Gay-Berne pair style");
+    error->all("Cannot use newton pair with gayberne/gpu pair style");
   if (!atom->ellipsoid_flag)
-    error->all("Pair gayberne requires atom style ellipsoid");
+    error->all("Pair gayberne/gpu requires atom style ellipsoid");
 
   // per-type shape precalculations
   // require that atom shapes are identical within each type
@@ -166,7 +166,7 @@ void PairGayBerneGPU::init_style()
 
   for (int i = 1; i <= atom->ntypes; i++) {
     if (!atom->shape_consistency(i,shape1[i][0],shape1[i][1],shape1[i][2]))
-      error->all("Pair gayberne requires atoms with same type have same shape");
+      error->all("Pair gayberne/gpu requires atoms with same type have same shape");
     if (shape1[i][0] == 0.0)
       shape1[i][0] = shape1[i][1] = shape1[i][2] = 1.0;
     shape2[i][0] = shape1[i][0]*shape1[i][0];

src/GPU/pair_lj96_cut_gpu.cpp

@@ -128,7 +128,7 @@ void PairLJ96CutGPU::init_style()
   cut_respa = NULL;
 
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU LJ96 pair style");
+    error->all("Cannot use newton pair with lj96/cut/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_lj_charmm_coul_long_gpu.cpp

@@ -147,9 +147,9 @@ void PairLJCharmmCoulLongGPU::init_style()
   cut_respa = NULL;
 
   if (!atom->q_flag)
-    error->all("Pair style lj/charmm/coul/long requires atom attribute q");
+    error->all("Pair style lj/charmm/coul/long/gpu requires atom attribute q");
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU CHARMM pair style");
+    error->all("Cannot use newton pair with lj/charmm/coul/long/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double cut;

src/GPU/pair_lj_class2_coul_long_gpu.cpp

@@ -142,9 +142,9 @@ void PairLJClass2CoulLongGPU::compute(int eflag, int vflag)
 void PairLJClass2CoulLongGPU::init_style()
 {
   if (!atom->q_flag)
-    error->all("Pair style lj/class2/coul/long requires atom attribute q");
+    error->all("Pair style lj/class2/coul/long/gpu requires atom attribute q");
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU LJ pair style");
+    error->all("Cannot use newton pair with lj/class2/coul/long/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_lj_class2_gpu.cpp

@@ -125,7 +125,7 @@ void PairLJClass2GPU::compute(int eflag, int vflag)
 void PairLJClass2GPU::init_style()
 {
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU LJ96 pair style");
+    error->all("Cannot use newton pair with lj/class2/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_lj_cut_coul_cut_gpu.cpp

@@ -133,10 +133,10 @@ void PairLJCutCoulCutGPU::compute(int eflag, int vflag)
 void PairLJCutCoulCutGPU::init_style()
 {
   if (!atom->q_flag)
-    error->all("Pair style lj/cut/coul/cut requires atom attribute q");
+    error->all("Pair style lj/cut/coul/cut/gpu requires atom attribute q");
 
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU LJ pair style");
+    error->all("Cannot use newton pair with lj/cut/coul/cut/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_lj_cut_coul_long_gpu.cpp

@@ -145,9 +145,9 @@ void PairLJCutCoulLongGPU::init_style()
   cut_respa = NULL;
 
   if (!atom->q_flag)
-    error->all("Pair style lj/cut/coul/cut requires atom attribute q");
+    error->all("Pair style lj/cut/coul/long/gpu requires atom attribute q");
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU LJ pair style");
+    error->all("Cannot use newton pair with lj/cut/could/cut/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_lj_cut_gpu.cpp

@@ -128,7 +128,7 @@ void PairLJCutGPU::init_style()
   cut_respa = NULL;
 
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU LJ pair style");
+    error->all("Cannot use newton pair with lj/cut/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_lj_cut_tgpu.cpp

@@ -140,7 +140,7 @@ void PairLJCutTGPU::init_style()
   cut_respa = NULL;
 
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU LJ pair style");
+    error->all("Cannot use newton pair with lj/cut/tgpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_lj_expand_gpu.cpp

@@ -127,7 +127,7 @@ void PairLJExpandGPU::compute(int eflag, int vflag)
 void PairLJExpandGPU::init_style()
 {
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU LJ pair style");
+    error->all("Cannot use newton pair with lj/expand/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_morse_gpu.cpp

@@ -125,7 +125,7 @@ void PairMorseGPU::compute(int eflag, int vflag)
 void PairMorseGPU::init_style()
 {
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU Morse pair style");
+    error->all("Cannot use newton pair with morse/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
   double maxcut = -1.0;

src/GPU/pair_resquared_gpu.cpp

@@ -155,9 +155,9 @@ void PairRESquaredGPU::compute(int eflag, int vflag)
 void PairRESquaredGPU::init_style()
 {
   if (force->newton_pair) 
-    error->all("Cannot use newton pair with GPU RESquared pair style");
+    error->all("Cannot use newton pair with resquared/gpu pair style");
   if (!atom->ellipsoid_flag)
-    error->all("Pair resquared requires atom style ellipsoid");
+    error->all("Pair resquared/gpu requires atom style ellipsoid");
 
   // per-type shape precalculations
   // require that atom shapes are identical within each type
@@ -165,7 +165,7 @@ void PairRESquaredGPU::init_style()
 
   for (int i = 1; i <= atom->ntypes; i++) {
     if (!atom->shape_consistency(i,shape1[i][0],shape1[i][1],shape1[i][2]))
-      error->all("Pair gayberne requires atoms with same type have same shape");
+      error->all("Pair resquared/gpu requires atoms with same type have same shape");
     if (setwell[i]) {
       shape2[i][0] = shape1[i][0]*shape1[i][0];
       shape2[i][1] = shape1[i][1]*shape1[i][1];