Hi Dr. Case,
By test case do you mean the tutorial? I was running the simulation with
the NMA tutorial. But I actually called SDSC, and they were able to help me
resolve the problem. Basically the problem had to do something with that
the tutorial was written for a single user, and with my case I was running
it on different nodes. All I had to do was to replaced the "sander" with
the executable file "sander1.cpu" and the program was executed successfully.
Thanks for your response,
LIli
On 7/10/07, David A. Case <case.scripps.edu> wrote:
>
> On Tue, Jul 10, 2007, Lili Peng wrote:
> >
> > I tried running the AMBER advanced tutorial A2 with the NMA file, and I
> > receive the same error message. I've tried Googling the error but
> nothing
> > relevant came up. I'm not sure what MPI I'm using. I'm running AMBER 9
> on
> > a Linux machine via ssh to the SDSC Teragrid machine, and I don't know
> if
> > the MPI can be changed through that.
>
> Again: this message has nothing to do with Amber: it doesn't depend on
> on what molecule or system you are running.
>
> Now that we know you are trying to run on SDSC Tergrid, people on the list
> may know more about how to help you. If not, contact the support people
> at SDSC.
>
> I note that you did not reply to my earlier question: "Can you run the
> test
> cases?" It's always good to check this out, since we know that the test
> cases
> should work, and we can rule out user error in creating the input files.
>
> ...dac
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jul 11 2007 - 06:07:53 PDT
