Update for md-gromacs test profile and molecular-dynamics test suite.
Reduces overall environment size by removing redundant binaries and adds double precision tests to the profile and suite.

Code:
diff --git a/pts/test-profiles/md-gromacs.xml b/pts/test-profiles/md-gromacs.xml
index 833f9bb..5bb56cc 100644
--- a/pts/test-profiles/md-gromacs.xml
+++ b/pts/test-profiles/md-gromacs.xml
@@ -1,13 +1,13 @@
 <PhoronixTestSuite>
     <TestProfile>
-        <Version>1.0.0</Version>
+        <Version>1.1.0</Version>
         <TestType>Processor</TestType>
         <SoftwareType>Scientific</SoftwareType>
         <License>FREE</License>
         <Status>VERIFIED</Status>
         <Maintainer>Andrew Schofield</Maintainer>
         <DownloadSize>30</DownloadSize>
-        <EnvironmentSize>247</EnvironmentSize>
+        <EnvironmentSize>106</EnvironmentSize>
     </TestProfile>
     <TestInformation>
         <Title>GROMACS MD Benchmark</Title>
@@ -59,5 +59,20 @@
                 </Entry>
             </Menu>
         </Option>
+        <Option>
+            <DisplayName>Precision</DisplayName>
+            <Identifier>precision</Identifier>
+            <ArgumentName></ArgumentName>
+            <Menu>
+                <Entry>
+                    <Name>Single Precision (SSE)</Name>
+                    <Value>single</Value>
+                </Entry>
+                <Entry>
+                    <Name>Double Precision (SSE2)</Name>
+                    <Value>double</Value>
+                </Entry>
+            </Menu>
+        </Option>
     </TestSettings>
 </PhoronixTestSuite>
diff --git a/pts/test-resources/md-gromacs/install.sh b/pts/test-resources/md-gromacs/install.sh
index c343439..5c10044 100644
--- a/pts/test-resources/md-gromacs/install.sh
+++ b/pts/test-resources/md-gromacs/install.sh
@@ -1,6 +1,9 @@
 #!/bin/sh
 
 THIS_DIR=$(pwd)
+rm -rf $THIS_DIR/fftw_
+rm -rf $THIS_DIR/mpich2_
+rm -rf $THIS_DIR/gromacs333_
 mkdir $THIS_DIR/fftw_
 mkdir $THIS_DIR/mpich2_
 mkdir $THIS_DIR/gromacs333_
@@ -27,16 +30,28 @@ rm -rf mpich2-1.0.7/
 
 tar -xvf gromacs-3.3.3.tar.gz
 cd gromacs-3.3.3/
-./configure --prefix=$THIS_DIR/gromacs333_ --enable-mpi CPPFLAGS=-I$THIS_DIR/fftw_/include LDFLAGS=-L$THIS_DIR/fftw_/lib PATH=$THIS_DIR/mpich2_/bin/:$PATH
+./configure --prefix=$THIS_DIR/gromacs333_ --enable-mpi --program-suffix="_SSE_MPI" CPPFLAGS=-I$THIS_DIR/fftw_/include LDFLAGS=-L$THIS_DIR/fftw_/lib PATH=$THIS_DIR/mpich2_/bin/:$PATH
 make -j $NUM_CPU_JOBS PATH=$THIS_DIR/mpich2_/bin/:$PATH
 make install
 make clean
-./configure --prefix=$THIS_DIR/gromacs333_ CPPFLAGS=-I$THIS_DIR/fftw_/include LDFLAGS=-L$THIS_DIR/fftw_/lib --program-suffix="_single"
-make mdrun
-make install-mdrun
+./configure --prefix=$THIS_DIR/gromacs333_ CPPFLAGS=-I$THIS_DIR/fftw_/include LDFLAGS=-L$THIS_DIR/fftw_/lib --program-suffix="_SSE"
+make -j $NUM_CPU_JOBS
+make install
+make clean
+./configure --prefix=$THIS_DIR/gromacs333_ --enable-mpi --disable-float --program-suffix="_SSE2_MPI" CPPFLAGS=-I$THIS_DIR/fftw_/include LDFLAGS=-L$THIS_DIR/fftw_/lib PATH=$THIS_DIR/mpich2_/bin/:$PATH
+make -j $NUM_CPU_JOBS PATH=$THIS_DIR/mpich2_/bin/:$PATH
+make install
+make clean
+./configure --prefix=$THIS_DIR/gromacs333_ CPPFLAGS=-I$THIS_DIR/fftw_/include LDFLAGS=-L$THIS_DIR/fftw_/lib --disable-float --program-suffix="_SSE2"
+make -j $NUM_CPU_JOBS
+make install
 cd ..
 rm -rf gromacs-3.3.3/
 
+cd gromacs333_/bin
+ls --indicator-style=none | grep -i -v -e "grompp\|mdrun" | xargs rm
+cd ../..
+
 echo "#!/bin/sh
 if [ -d $THIS_DIR/gmxbench ]
   then
@@ -49,6 +64,18 @@ fi
 mkdir $THIS_DIR/gmxbench
 tar -xvf gmxbench-3.0.tar.gz -C $THIS_DIR/gmxbench/ 1>/dev/null 2>&1
 
+case "\$3" in
+\"single\")
+    PRECISION=\"SSE\"
+    ;;
+\"double\")
+    PRECISION=\"SSE2\"
+    ;;
+*)
+    exit
+    ;;
+esac
+
 case "\$1" in
 \"villin\")
     cd $THIS_DIR/gmxbench/d.villin/
@@ -67,18 +94,15 @@ case "\$1" in
     exit
     ;;
 esac
-#cat grompp.mdp | sed 's/nsteps                   = 5000/nsteps                   = 5000/' > grompp.mdp.new
-#rm -f grompp.mdp
-#mv grompp.mdp.new grompp.mdp
 
 case "\$2" in
 \"mpi\")
-    $THIS_DIR/gromacs333_/bin/grompp -np \$NUM_CPU_CORES -nov 1>/dev/null 2>&1
-    $THIS_DIR/mpich2_/bin/mpiexec -np \$NUM_CPU_CORES $THIS_DIR/gromacs333_/bin/mdrun 1>$THIS_DIR/flopcount 2>&1
+    $THIS_DIR/gromacs333_/bin/grompp_\$PRECISION\_MPI -np \$NUM_CPU_CORES -nov 1>/dev/null 2>&1
+    $THIS_DIR/mpich2_/bin/mpiexec -np \$NUM_CPU_CORES $THIS_DIR/gromacs333_/bin/mdrun_\$PRECISION\_MPI 1>$THIS_DIR/flopcount 2>&1
     ;;
 \"single-node\")
-    $THIS_DIR/gromacs333_/bin/grompp -nov 1>/dev/null 2>&1
-    $THIS_DIR/gromacs333_/bin/mdrun_single 1>$THIS_DIR/flopcount 2>&1
+    $THIS_DIR/gromacs333_/bin/grompp_\$PRECISION -nov 1>/dev/null 2>&1
+    $THIS_DIR/gromacs333_/bin/mdrun_\$PRECISION 1>$THIS_DIR/flopcount 2>&1
     ;;
 *)
     exit
diff --git a/pts/test-suites/molecular-dynamics.xml b/pts/test-suites/molecular-dynamics.xml
index 2f12809..4714a4a 100644
--- a/pts/test-suites/molecular-dynamics.xml
+++ b/pts/test-suites/molecular-dynamics.xml
@@ -1,6 +1,6 @@
 <PhoronixTestSuite>
     <SuiteInformation>
-        <Version>1.0.0</Version>
+        <Version>1.1.0</Version>
         <TestType>Processor</TestType>
         <Title>Molecular Dynamics Test Suite</Title>
         <Maintainer>Andrew Schofield</Maintainer>
@@ -8,22 +8,42 @@
     </SuiteInformation>
     <RunTest>
         <Test>md-gromacs</Test>
-        <Arguments>villin single-node</Arguments>
-        <Description>Single-node Villin</Description>
+        <Arguments>villin single-node single</Arguments>
+        <Description>Single-node Villin with Single Precision</Description>
     </RunTest>
     <RunTest>
         <Test>md-gromacs</Test>
-        <Arguments>villin mpi</Arguments>
-        <Description>Parallel Villin</Description>
+        <Arguments>villin single-node double</Arguments>
+        <Description>Single-node Villin with Double Precision</Description>
     </RunTest>
     <RunTest>
         <Test>md-gromacs</Test>
-        <Arguments>lzm single-node</Arguments>
-        <Description>Single-node Lysozyme</Description>
+        <Arguments>villin mpi single</Arguments>
+        <Description>Parallel Villin with Single Precision</Description>
     </RunTest>
     <RunTest>
         <Test>md-gromacs</Test>
-        <Arguments>lzm mpi</Arguments>
-        <Description>Parallel Lysozyme</Description>
+        <Arguments>villin mpi double</Arguments>
+        <Description>Parallel Villin with Double Precision</Description>
+    </RunTest>
+    <RunTest>
+        <Test>md-gromacs</Test>
+        <Arguments>lzm single-node single</Arguments>
+        <Description>Single-node Lysozyme with Single Precision</Description>
+    </RunTest>
+    <RunTest>
+        <Test>md-gromacs</Test>
+        <Arguments>lzm single-node double</Arguments>
+        <Description>Single-node Lysozyme with Double Precision</Description>
+    </RunTest>
+    <RunTest>
+        <Test>md-gromacs</Test>
+        <Arguments>lzm mpi single</Arguments>
+        <Description>Parallel Lysozyme with Single Precision</Description>
+    </RunTest>
+    <RunTest>
+        <Test>md-gromacs</Test>
+        <Arguments>lzm mpi double</Arguments>
+        <Description>Parallel Lysozyme with Double Precision</Description>
     </RunTest>
 </PhoronixTestSuite>