AMBER Archive (2002)

Subject: Re: tests for amber

From: jim caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Tue Jul 30 2002 - 19:57:49 CDT

That test case only comprises one residue and you are apparently
running the tests on a parallel machine. Either run the test on
a single processor machine or edit the script to only use one
processor.

jim

On Tue, 30 Jul 2002, Cozmuta wrote:

> Hi,
>
> I am running the tests for amber on my machine (make test.executable) and
> when running sander I get the following error message:
> cd adenine; ./Run.adenine
> Must have more residues than processors!
> MPI:MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
> Program error
> ***Error code 1 (bu21)
>
> Does anyone know what is this error related to? The error message
> comparing the number of residues with the number of processors seems
> pretty weird to me. Why would one do such a comparison?
>
> thank you,
> Ioana
>

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