Add additional MDI examples

examples/USER/mdi/Script.sh

@@ -1,6 +1,7 @@
 #!/bin/bash
 # sample launch scripts
 
+
 # TCP, running LAMMPS on one proc
 
 python driver.py -mdi "-name driver -role DRIVER -method TCP -port 8021" &
@@ -8,6 +9,20 @@ python driver.py -mdi "-name driver -role DRIVER -method TCP -port 8021" &
 wait
 
 
+# TCP, running LAMMPS on two procs
+
+python driver.py -mdi "-name driver -role DRIVER -method TCP -port 8021" &
+mpiexec -n 2 ../../../src/lmp_mdi -mdi "-name LAMMPS -role ENGINE -method TCP -port 8021 -hostname localhost" -in lammps.in > lammps.out &
+wait
+
+
 # MPI, running LAMMPS on one proc
 
-mpirun -n 1 python driver.py -mdi "-name driver -role DRIVER -method MPI" : -n 1 ../../../src/lmp_mdi -mdi "-name LAMMPS -role ENGINE -method MPI"
+mpiexec -n 1 python driver.py -mdi "-name driver -role DRIVER -method MPI" : \
+        -n 1 ../../../src/lmp_mdi -mdi "-name LAMMPS -role ENGINE -method MPI -out lammps.out" -in lammps.in
+
+
+# MPI, running LAMMPS on two procs
+
+mpirun -n 1 python driver.py -mdi "-name driver -role DRIVER -method MPI" : \
+       -n 2 ../../../src/lmp_mdi -mdi "-name LAMMPS -role ENGINE -method MPI -out lammps.out" -in lammps.in

examples/USER/mdi/driver.py

@@ -1,6 +1,13 @@
 import sys
 import mdi
 
+use_mpi4py = False
+try:
+    from mpi4py import MPI
+    use_mpi4py = True
+except:
+    pass
+
 # Initialize the MDI Library
 mdi.MDI_Init(sys.argv[2])