Dear YT
Have you try sander_openMM ? Do you have any problem when install it ?
I've been try, I follow instruction in readme.txt file, They said :
"6) From the directory containing this README.txt file, run the
addOpenmmToSander.sh Bash script to copy the new source and make files
to the AMBER source area.
$ /bin/bash addOpenmmToSander.sh
7) Change to the AMBER source directory and rerun the make command:
$ cd $AMBERHOME/src
$ make clean
$ make serial
=================
I've error when make serial.
The error said : "cannot find -lOpenMM
But actually i've been install OpenMM.
Can you do me a favor ? please ?
regards
Setyanto
On Tue, Oct 26, 2010 at 12:59 PM, c00jsw00 <c00jsw00.nchc.org.tw> wrote:
> Hi,
> The openMM can do it. (https://simtk.org/home/openmm)
> YT
> On Mon, 25 Oct 2010 22:38:37 -0700, "Ross Walker" <ross.rosswalker.co.uk>
> wrote:
> > Dear Setyanto,
> >
> >> We have amber 10 in our laboratory. With GPU computing technology, we
> >> would
> >> like to know if it is possibly to run Sander on GPU ?
> >> If yes, could some body help us, how to do it ?
> >
> > You cannot currently run sander on GPUs. However AMBER 11 supports use
> of
> > GPUs (NVIDIA SM1.3/2.0 and later) for acceleration of pmemd runs.
> >
> > See: http://ambermd.org/gpus/
> >
> > All the best
> > Ross
> >
> > /\
> > \/
> > |\oss Walker
> >
> > ---------------------------------------------------------
> > | Assistant Research Professor |
> > | San Diego Supercomputer Center |
> > | Adjunct Assistant Professor |
> > | Dept. of Chemistry and Biochemistry |
> > | University of California San Diego |
> > | NVIDIA Fellow |
> > | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> > | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> > ---------------------------------------------------------
> >
> > Note: Electronic Mail is not secure, has no guarantee of delivery, may
> not
> > be read every day, and should not be used for urgent or sensitive
> issues.
> >
> >
> >
> >
> >
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Received on Mon Nov 22 2010 - 19:30:30 PST
