Dear Bertrand,
I agree that this message is not the clearest, I will improve it in later
versions of Amber to it cleared that this is just a warning.
If you don't plan on doing DFTB QM/MM simulations then you can ignore this
warning. If however you do wish do do DFTB simulations then you need to
obtain the necessary spline files from Marcus Elstner. See Page 142 of the
user manual for more info.
All the best
Ross
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From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
bertrand russell
Sent: Monday, January 08, 2007 23:18
To: amber.scripps.edu
Subject: Re: AMBER: Installation help - SGI Altix 350
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.
--
Live Life; Don't pass it
Bertrand.P.S.Russell
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Received on Wed Jan 10 2007 - 06:07:49 PST
