Commit 908ff16a authored by Leonardo Solis's avatar Leonardo Solis
Browse files

tested integrated-linux-cpu+gpu flow on gpu

parent 5669c632
......@@ -11,7 +11,7 @@ AMD_LIBRARY_PATH=/opt/amdgpu-pro/lib/x86_64-linux-gnu
# ------------------------------------------------------
# Choose OpenCL device
# Valid values: CPU, GPU
DEVICE=CPU
DEVICE=GPU
ifeq ($(DEVICE), CPU)
DEV =-DCPU_DEVICE
......
......@@ -12,26 +12,25 @@ OpenCL Accelerated Molecular Docking (OCLADock)
## Requirements
OCLADock is known to work in the following environment:
* PPPPP
* LLLLLL
* UUUUU
* Intel x86_64 architecture
* CentOS 6.7 & 6.8 / Ubuntu 16.04
## Prerequisites
* OpenCL Intel SDK
* Intel driver
* AMD APP SDK
* AMD GPU driver
* CPU Driver: Intel OpenCL Runtime v16.1
* GPU Driver: AMDGPU-PRO v16.50
* CPU SDK: Intel SDK for OpenCL v1.2
* GPU SDK: AMD APP SDK v3.0
Other environments/configurations likely work as well, but are untested.
Verify OpenCL SDK is correctly installed!
# Compilation
## Compilation on Linux
```zsh
make
make DEVICE=<TYPE>
```
The valid values for <TYPE> are: CPU or GPU.
After successful compilation, the host binary `ocladock_<N>wi` is placed in the project root-folder.
`N` denotes the OpenCL work-group size. This can be configured in the [Makefile](Makefile).
......@@ -52,6 +51,7 @@ Mandatory arguments:
```zsh
./ocladock_64wi -ffile ./input_data/1stp/derived/1stp_protein.maps.fld -lfile ./input_data/1stp/derived/1stp_ligand.pdbqt -nrun 10
```
By default the output log file is written in the root folder: [docking.dlg][docking.dlg]
## Supported arguments
For a complete list of available arguments and their default values, check: [getparameters.cpp](host/src/getparameters.cpp)
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment