AMBER Archive (2007)

Subject: Re: AMBER: Installation help - SGI Altix 350

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Wed Jan 10 2007 - 10:07:26 CST

On 1/9/07, bertrand russell <betrussell23_at_gmail.com> wrote:
> Dear Case,
>
> I followed your suggestion and lowered the optimisation
> level. Eventhen I am getting the Internal compiler error, but this time at
> line no 1616. But when I issued
>
> > make -i serial
>
> It gets compiled and during testing I am getting the following,
>
> ################################################################
> echo "skipping the DFTB tests because needed parameters files are missing"
> skipping the DFTB tests because needed parameters files are missing
> echo "skipping the DFTB tests because needed parameters files are missing"
> skipping the DFTB tests because needed parameters files are missing
> cd pimd_water/P=8/pimd; ./Run.pimd
> ################################################################
>
> How can I overcome this problem? Or this can be neglected? Thanks in
> advance.

This is not an error message, nor a problem. To run QM/MM
callculations using SCC-DFTB, you need to have parameter files that
are distributed by Marcus Elstner. There are more details about that
in the Amber Manual, and in the $AMBERHOME/dat/slko/README file. This
message just tells you that Amber is skipping the test cases related
with DFTB, as it should, because apparently you still do not have the
parameter files needed.

So, in summary, you can just safely ignore that, unless you do want to
run such calculations.

Gustavo.
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