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UEABS
ueabs
Commits
7dff5e8e
Commit
7dff5e8e
authored
Mar 28, 2017
by
Victor
Browse files
IMPROVE code blocs
parent
4ddcccf1
Changes
1
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Side-by-side
gpaw/README.md
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7dff5e8e
...
...
@@ -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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