Merge pull request #8 from indigo-dc/devel

add powerfit examples, updated READMEs

README.md

@@ -102,7 +102,7 @@ $ export EX_DIR=/usr/local/disvis/test-cases/PRE5-PUP2-complex
 $ disvis ${EX_DIR}/O14250.pdb ${EX_DIR}/Q9UT97.pdb ${EX_DIR}/restraints.dat -p 2 -a 20.0 -vs 2 -d /home/out
 ```
 
-To run in the GPU
+To run in the GPU:
 
 ```
 $ cd /home
@@ -112,6 +112,23 @@ $ export EX_DIR=/usr/local/disvis/test-cases/PRE5-PUP2-complex
 $ disvis ${EX_DIR}/O14250.pdb ${EX_DIR}/Q9UT97.pdb ${EX_DIR}/restraints.dat -g -a 20.0 -vs 2 -d /home/out
 ```
 
+Run the powerfit application
+----------------------------
+
+The example runs powerfit on the CPU with 2 threads:
+
+```
+$ cd /home
+$ ./run-powerfitCPU.sh
+```
+
+To run in the GPU:
+
+```
+$ cd /home
+$ ./run-powerfitGPU.sh
+```
+
 License
 -------
 

docker-powerfit/README.md

@@ -38,14 +38,12 @@ The docker containes the opencl application hosted in:
 * https://github.com/haddocking/powerfit
 
 Read section "Options" for examples to run the application. 
-
-THIS PART TO be completed
-
 To run the powerfit in CPUs, you can instantiate the container:
 
 ```
 $ docker run -it indigodatacloudapps/powerfit /bin/bash
-#
+# cd /home
+# ./run-powerfitCPU.sh
 ```
 
 To run the powerfit in GPU, you can instantiate the container and import the
@@ -58,7 +56,8 @@ $ docker run \
     --device=/dev/nvidia-uvm:/dev/nvidia-uvm \
     -it \
     indigodatacloudapps/powerfit /bin/bash
-#
+# cd /home
+# ./run-powerfitGPU.sh
 ```
 
 License