From 9540b77fea2b43251760ab2d1959d5b760cd2c84 Mon Sep 17 00:00:00 2001 From: mariojmdavid Date: Thu, 2 Jun 2016 22:08:54 +0100 Subject: [PATCH] add powerfit examples, updated READMEs --- README.md | 19 ++++++++++++++++++- docker-powerfit/README.md | 9 ++++----- 2 files changed, 22 insertions(+), 6 deletions(-) diff --git a/README.md b/README.md index f316510..c57051d 100644 --- a/README.md +++ b/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 ------- diff --git a/docker-powerfit/README.md b/docker-powerfit/README.md index d148844..b48946f 100644 --- a/docker-powerfit/README.md +++ b/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