AMBER Archive (2007)

Subject: Re: Fwd: Re: AMBER: make test serial

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Sat Jun 30 2007 - 11:18:38 CDT

Thanks. When correctly run

$ make test.serial

does indeed generate a TEST_FAILURES.diff, related to amoeba, QM-MD, and
antechamber. The latter module will be my horse.

I tried to understand the failures displayed. Cryptic for me at this stage.
Therefore, I regret to have to ask for help again. Though, I understand, I am
on the right road.

Thanks
francesco

--- "David A. Case" <case_at_scripps.edu> wrote:

> On Sat, Jun 30, 2007, Francesco Pietra wrote:
>
> > $ make test serial
>
> This should be "make test.serial". A summary of failures (if any) is
> maintained in TEST_FAILURES.diff. Since elsize is the last test, you are
> probably fine.
>
> If you are new to Amber, I strongly recommend you just use the serial codes
> for a while, gaining some experience. There is generally no need for
> parallel
> codes until you have big jobs, and until you are convinced that you will be
> able to run and analyze them correctly. Almost everyone finds that running
> biomolecular simulation tools takes some learning.
>
> ...dac
>
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