Commit 7dff5e8e authored by Victor's avatar Victor
Browse files

IMPROVE code blocs

parent 4ddcccf1
......@@ -71,12 +71,12 @@ are two additional steps compared to a standard installation:
modifying the default options and paths to match your system. The following
compiler options may offer a good starting point.
"""
```shell
CC = icc
CCFLAGS = $(CUGPAW_DEFS) -fPIC -std=c99 -m64 -O3
NVCC = nvcc -ccbin=icpc
NVCCFLAGS = $(CUGPAW_DEFS) -O3 -arch=sm_20 -m64 --compiler-options '-fPIC -O3'
"""
```
To use a dynamic link to Libxc, please add a corresponding include flag to the
CUGPAW_INCLUDES (e.g. '-I/path/to/libxc/include') and a
......@@ -89,7 +89,7 @@ After making the necessary changes, simply run make (in the c/cuda path).
2) Edit your GPAW setup script (customize.py) to add correct link and compile
options for CUDA. The relevant lines are e.g.:
"""
```python
define_macros += [('GPAW_CUDA', '1')]
libraries += [
'gpaw-cuda',
......@@ -105,7 +105,7 @@ include_dirs += [
'/path/to/cuda/include'
]
"""
```
## Xeon Phi MICs
......@@ -160,20 +160,20 @@ from standard installation:
1) Compile and install Numpy with a suitable site.cfg to use MKL, e.g.
"""
```python
[mkl]
library_dirs = /path/to/mkl/lib/intel64
include_dirs = /path/to/mkl/include
lapack_libs =
mkl_libs = mkl_rt
"""
```
2) Compile and install pyMIC before GPAW.
3) Edit your GPAW setup script (customize.py) to add correct link and compile
options for offloading. The relevant lines are e.g.:
"""
```python
# offload to KNC
extra_compile_args += ['-qoffload-option,mic,compiler,"-qopenmp"']
extra_compile_args += ['-qopt-report-phase=offload']
......@@ -182,7 +182,7 @@ extra_compile_args += ['-qopt-report-phase=offload']
mic_mkl_lib = '/path/to/mkl/lib/mic/'
extra_link_args += ['-offload-option,mic,link,"-L' + mic_mkl_lib \
+ ' -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lpthread"']
"""
```
......
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