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UEABS
ueabs
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9da9fc4b
Commit
9da9fc4b
authored
Mar 28, 2017
by
Victor
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gpaw/README.md
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9da9fc4b
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@@ -79,33 +79,33 @@ are two additional steps compared to a standard installation:
```
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
CUGPAW_INCLUDES (e.g.
`
-I/path/to/libxc/include
`
) and a
It is possible that you may also need to add additional include flags for MKL
and Libxc in CUGPAW_INCLUDES (e.g.
'
-I/path/to/mkl/include
'
).
and Libxc in CUGPAW_INCLUDES (e.g.
`
-I/path/to/mkl/include
`
).
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.:
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'
,
'cublas'
,
'cudart'
,
'stdc++'
]
library_dirs
+=
[
'./c/cuda'
,
'/path/to/cuda/lib64'
]
include_dirs
+=
[
'/path/to/cuda/include'
]
```
python
define_macros
+=
[(
'GPAW_CUDA'
,
'1'
)]
libraries
+=
[
'gpaw-cuda'
,
'cublas'
,
'cudart'
,
'stdc++'
]
library_dirs
+=
[
'./c/cuda'
,
'/path/to/cuda/lib64'
]
include_dirs
+=
[
'/path/to/cuda/include'
]
```
```
## Xeon Phi MICs
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