From bb4ce1aa09c140ea0d9adfbfe8726b7c7399ef71 Mon Sep 17 00:00:00 2001
From: James McClure <mcclurej@vt.edu>
Date: Thu, 16 Dec 2021 20:35:06 -0500
Subject: [PATCH] fix string with gcc 10.2

---
 IO/PackData.cpp                      |  2 +-
 sample_scripts/configure_tinker_A100 | 33 ++++++++++++++++++++++++++++
 2 files changed, 34 insertions(+), 1 deletion(-)
 create mode 100755 sample_scripts/configure_tinker_A100

diff --git a/IO/PackData.cpp b/IO/PackData.cpp
index 3782914c..4a50dad8 100644
--- a/IO/PackData.cpp
+++ b/IO/PackData.cpp
@@ -1,6 +1,6 @@
 #include "IO/PackData.h"
 
-#include <string.h>
+#include <string>
 
 
 /********************************************************
diff --git a/sample_scripts/configure_tinker_A100 b/sample_scripts/configure_tinker_A100
new file mode 100755
index 00000000..c8c19b37
--- /dev/null
+++ b/sample_scripts/configure_tinker_A100
@@ -0,0 +1,33 @@
+# load the module for cmake
+module reset
+module load CMake
+#module load CUDA
+#module load OpenMPI
+#module load cuda11.2/toolkit
+ 
+module load OpenMPI/4.0.5-gcccuda-2020b
+module load HDF5
+
+#export GCC_BIN=/apps/easybuild/software/tinkercliffs-rome_a100/GCCcore/10.2.0/bin
+
+cmake                                    \
+    -D CMAKE_C_COMPILER:PATH=mpicc          \
+    -D CMAKE_CXX_COMPILER:PATH=mpicxx        \
+    -D CMAKE_C_FLAGS="-fPIC"            \
+    -D CMAKE_CXX_FLAGS="-fPIC"          \
+    -D MPIEXEC=mpirun                     \
+    -D USE_EXT_MPI_FOR_SERIAL_TESTS:BOOL=TRUE \
+    -D CMAKE_BUILD_TYPE:STRING=Release     \
+    -D USE_CUDA=1                        \
+    -D CMAKE_CUDA_FLAGS="-arch sm_80"   \
+    -D CMAKE_CUDA_HOST_COMPILER="$GCC_BIN/gcc" \
+    -D USE_HDF5=1					 \
+       -D HDF5_DIRECTORY=$HDF5_DIR \
+    -D USE_SILO=0				 \
+       -D SILO_DIRECTORY=$SILO_DIR \
+    -D USE_TIMER=0				 \
+    ~/LBPM-WIA
+
+make VERBOSE=1 -j4 && make install
+
+ 
\ No newline at end of file