PG-PuReMD: fix checks for recent MPICH versions.

PG-PuReMD/configure.ac

@@ -67,8 +67,12 @@ CC="$MPICC"
 CFLAGS="$CFLAGS"
 AC_CHECK_DECL([OPEN_MPI], [mpi_vendor="OpenMPI"],
 	     [], [#include "mpi.h"])
+# MPICH v2
 AC_CHECK_DECL([MPICH2], [mpi_vendor="MPICH"],
 	     [], [#include "mpi.h"])
+# MPICH v3
+AC_CHECK_DECL([MPICH_VERSION], [mpi_vendor="MPICH"],
+	     [], [#include "mpi.h"])
 CC="$sav_CC"
 CFLAGS="$sav_CFLAGS"
 

PG-PuReMD/src/cuda/cuda_forces.h

@@ -35,8 +35,6 @@ void Cuda_Compute_NonBonded_Forces( reax_system *, control_params *,
 int Cuda_Compute_Forces( reax_system*, control_params*, simulation_data*,
         storage*, reax_list**, output_controls*, mpi_datatypes* );
 
-void Print_Forces( reax_system * );
-
 
 #ifdef __cplusplus
 }