From 3a08455f6ed88f39c242c792da35d35a0fb121a3 Mon Sep 17 00:00:00 2001
From: "Kurt A. O'Hearn" <ohearnku@msu.edu>
Date: Tue, 25 Jul 2017 15:58:14 -0400
Subject: [PATCH] PG-PuReMD: fix checks for recent MPICH versions.
---
PG-PuReMD/configure.ac | 4 ++++
PG-PuReMD/src/cuda/cuda_forces.h | 2 --
2 files changed, 4 insertions(+), 2 deletions(-)
diff --git a/PG-PuReMD/configure.ac b/PG-PuReMD/configure.ac
index d0136ecf..a9eba5fa 100644
--- a/PG-PuReMD/configure.ac
+++ b/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"
diff --git a/PG-PuReMD/src/cuda/cuda_forces.h b/PG-PuReMD/src/cuda/cuda_forces.h
index 4abdb52f..b618fa29 100644
--- a/PG-PuReMD/src/cuda/cuda_forces.h
+++ b/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
}
--
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