Dear jason
Thank you for your respond. I'll try your suggestion
regards
stw
On Tue, Nov 23, 2010 at 8:52 PM, Jason Swails <jason.swails.gmail.com>wrote:
> On Mon, Nov 22, 2010 at 10:25 PM, setyanto md <stwahyudi.md.gmail.com
> >wrote:
>
> > 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
> >
>
> Some familiarity with the process of compiling code would certainly be a
> great help here. This error means that a library can't be found.
> Specifically, libOpenMM.a (or libOpenMM.so/libOpenMM.dylib depending on
> your
> system/compiling options) in the searched library paths. What you have to
> do is locate this library (wherever you installed it), and provide its
> location to the linker (-L/path/to/library -lOpenMM). (The fortran compiler
> doubles as the linker in the sander build)
>
> It's difficult for me to help beyond this, since I've never used OpenMM.
>
> Hope this helps,
> Jason
>
>
> > 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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>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
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Received on Thu Nov 25 2010 - 07:30:02 PST
