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tsoc
openmm
Commits
105b196e
Commit
105b196e
authored
Oct 30, 2014
by
peastman
Browse files
Merge pull request #684 from peastman/master
Minor updates to manual for 6.2.
parents
10c5a10f
da2e8c92
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docs-source/usersguide/application.rst
docs-source/usersguide/application.rst
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docs-source/usersguide/library.rst
docs-source/usersguide/library.rst
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docs-source/usersguide/application.rst
View file @
105b196e
...
@@ -43,15 +43,13 @@ troubleshooting guide that describes common problems and how to fix them
...
@@ -43,15 +43,13 @@ troubleshooting guide that describes common problems and how to fix them
Installing
on
Mac
OS
X
Installing
on
Mac
OS
X
**********************
**********************
OpenMM
works
on
Mac
OS
X
10.7
or
later
.
GPU
acceleration
is
currently
only
OpenMM
works
on
Mac
OS
X
10.7
or
later
.
supported
on
Nvidia
GPUs
,
not
on
AMD
or
Intel
GPUs
.
..
warning
::
..
note
::
A
serious
bug
was
introduced
in
Mac
OS
X
10.7.5
that
prevents
The
OpenCL
implementations
on
all
recent
versions
of
Mac
OS
X
contain
serious
OpenMM
’
s
OpenCL
platform
from
working
correctly
.
At
the
time
of
this
writing
,
bugs
that
make
them
unsuitable
for
use
with
OpenMM
.
GPU
acceleration
is
the
bug
is
present
in
all
versions
from
10.7.5
onward
.
The
CUDA
platform
(
see
therefore
only
supported
with
the
CUDA
platform
.
This
limits
it
to
only
Nvidia
below
)
is
not
affected
by
the
bug
,
so
if
you
have
an
affected
version
of
OS
X
,
GPUs
,
not
AMD
or
Intel
GPUs
.
you
should
use
it
instead
of
the
OpenCL
platform
.
1.
Download
the
pre
-
compiled
binary
of
OpenMM
for
Mac
OS
X
,
then
double
click
1.
Download
the
pre
-
compiled
binary
of
OpenMM
for
Mac
OS
X
,
then
double
click
the
.
zip
file
to
expand
it
.
the
.
zip
file
to
expand
it
.
...
@@ -63,7 +61,7 @@ and tell it to install the command line tools. With Xcode 4.2 and earlier, the
...
@@ -63,7 +61,7 @@ and tell it to install the command line tools. With Xcode 4.2 and earlier, the
command
line
tools
are
automatically
installed
when
you
install
Xcode
.)
command
line
tools
are
automatically
installed
when
you
install
Xcode
.)
3.
(
Optional
)
If
you
have
an
Nvidia
GPU
and
want
to
use
the
CUDA
platform
,
3.
(
Optional
)
If
you
have
an
Nvidia
GPU
and
want
to
use
the
CUDA
platform
,
download
CUDA
6.
0
from
https
://
developer
.
nvidia
.
com
/
cuda
-
downloads
.
Be
sure
to
download
CUDA
6.
5
from
https
://
developer
.
nvidia
.
com
/
cuda
-
downloads
.
Be
sure
to
install
both
the
drivers
and
toolkit
.
install
both
the
drivers
and
toolkit
.
4.
(
Optional
)
If
you
plan
to
use
the
CPU
platform
,
it
is
recommended
that
you
4.
(
Optional
)
If
you
plan
to
use
the
CPU
platform
,
it
is
recommended
that
you
...
@@ -139,7 +137,7 @@ into a console window.
...
@@ -139,7 +137,7 @@ into a console window.
3.
(
Optional
)
If
you
want
to
run
OpenMM
on
a
GPU
,
install
CUDA
and
/
or
OpenCL
.
3.
(
Optional
)
If
you
want
to
run
OpenMM
on
a
GPU
,
install
CUDA
and
/
or
OpenCL
.
*
If
you
have
an
Nvidia
GPU
,
download
CUDA
6.
0
from
*
If
you
have
an
Nvidia
GPU
,
download
CUDA
6.
5
from
https
://
developer
.
nvidia
.
com
/
cuda
-
downloads
.
Be
sure
to
install
both
the
https
://
developer
.
nvidia
.
com
/
cuda
-
downloads
.
Be
sure
to
install
both
the
drivers
and
toolkit
.
OpenCL
is
included
with
the
CUDA
drivers
.
drivers
and
toolkit
.
OpenCL
is
included
with
the
CUDA
drivers
.
*
If
you
have
an
AMD
GPU
,
download
the
latest
version
of
the
Catalyst
driver
*
If
you
have
an
AMD
GPU
,
download
the
latest
version
of
the
Catalyst
driver
...
@@ -222,11 +220,9 @@ and ignore it.)
...
@@ -222,11 +220,9 @@ and ignore it.)
4.
(
Optional
)
If
you
want
to
run
OpenMM
on
a
GPU
,
install
CUDA
and
/
or
OpenCL
.
4.
(
Optional
)
If
you
want
to
run
OpenMM
on
a
GPU
,
install
CUDA
and
/
or
OpenCL
.
*
If
you
have
an
Nvidia
GPU
,
download
CUDA
6.
0
from
*
If
you
have
an
Nvidia
GPU
,
download
CUDA
6.
5
from
https
://
developer
.
nvidia
.
com
/
cuda
-
downloads
.
Be
sure
to
install
both
the
https
://
developer
.
nvidia
.
com
/
cuda
-
downloads
.
Be
sure
to
install
both
the
drivers
and
toolkit
.
For
64
-
bit
machines
,
you
should
install
the
64
-
bit
driver
,
drivers
and
toolkit
.
OpenCL
is
included
with
the
CUDA
drivers
.
but
download
the
32
-
bit
version
of
the
toolkit
since
the
OpenMM
binary
is
32
-
bit
.
OpenCL
is
included
with
the
CUDA
drivers
.
*
If
you
have
an
AMD
GPU
,
download
the
latest
version
of
the
Catalyst
driver
*
If
you
have
an
AMD
GPU
,
download
the
latest
version
of
the
Catalyst
driver
from
http
://
support
.
amd
.
com
.
from
http
://
support
.
amd
.
com
.
...
...
docs-source/usersguide/library.rst
View file @
105b196e
...
@@ -434,7 +434,7 @@ To download and unpack OpenMM source code:
...
@@ -434,7 +434,7 @@ To download and unpack OpenMM source code:
Alternatively
,
if
you
want
the
most
recent
development
version
of
the
code
rather
Alternatively
,
if
you
want
the
most
recent
development
version
of
the
code
rather
than
the
version
corresponding
to
a
particular
release
,
you
can
get
it
from
than
the
version
corresponding
to
a
particular
release
,
you
can
get
it
from
https
://
github
.
com
/
SimTk
/
openmm
.
Be
aware
that
the
development
code
is
constantly
https
://
github
.
com
/
pandegroup
/
openmm
.
Be
aware
that
the
development
code
is
constantly
changing
,
may
contain
bugs
,
and
should
never
be
used
for
production
work
.
If
changing
,
may
contain
bugs
,
and
should
never
be
used
for
production
work
.
If
you
want
a
stable
,
well
tested
version
of
OpenMM
,
you
should
download
the
source
you
want
a
stable
,
well
tested
version
of
OpenMM
,
you
should
download
the
source
code
for
the
latest
release
as
described
above
.
code
for
the
latest
release
as
described
above
.
...
...
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