<s>
Molecular	B-Algorithm
modeling	I-Algorithm
on	I-Algorithm
GPU	I-Algorithm
is	O
the	O
technique	O
of	O
using	O
a	O
graphics	B-Architecture
processing	I-Architecture
unit	I-Architecture
(	O
GPU	B-Architecture
)	O
for	O
molecular	O
simulations	O
.	O
</s>
<s>
What	O
was	O
new	O
is	O
that	O
NVIDIA	O
made	O
it	O
possible	O
to	O
develop	O
parallel	O
programs	O
in	O
a	O
high-level	O
application	B-Application
programming	I-Application
interface	I-Application
(	O
API	B-Application
)	O
named	O
CUDA	B-Architecture
.	O
</s>
<s>
This	O
technology	O
substantially	O
simplified	O
programming	O
by	O
enabling	O
programs	O
to	O
be	O
written	O
in	O
C/C	O
++	O
.	O
</s>
<s>
More	O
recently	O
,	O
OpenCL	B-Application
allows	O
cross-platform	B-Operating_System
GPU	B-Architecture
acceleration	O
.	O
</s>
<s>
Octopus	B-Application
has	O
support	O
for	O
OpenCL	B-Application
.	O
</s>
<s>
TINKER	B-Application
on	O
GPUs	B-Architecture
.	O
</s>
<s>
YASARA	B-Application
runs	O
MD	O
simulations	O
on	O
all	O
GPUs	B-Architecture
using	O
OpenCL	B-Application
.	O
</s>
<s>
–	O
an	O
open-source	B-License
platform-independent	B-Operating_System
library	O
for	O
molecular	O
dynamics	O
simulations	O
on	O
modern	O
shared-memory	B-Operating_System
parallel	O
architectures	O
.	O
</s>
