[Pw_forum] transition state

[Axel Kohlmeyer]

On Wed, 2 May 2007, ÇÍÓÇä ÚÑíÞÇÊ wrote:

dear ihsan,

please ask yourself a simple question:

if there _was_ a way to get the same anwer as
you can get it from NEB in a simple, reliable,
and less cpu-time demanding way, do you think
anybody would be still using NEB?

IA> Dear Stefano Baroni 
IA> I am a new phd student at the university of Jordan ,
IA> in a new growing theoretical group, we are new in this
IA> field . We don`t have supercomputers  so I`m working
IA> on NEB using pc`s computers pentium 4, it`s too slow ,

while it can be very frustrating to not have the 
cpu power at your disposal, that other people have,
this is also a chance: you have to think harder before
you can afford to run a calculation and than better 
make sure that it will work. in many cases, finding
good strategies to do this will take significant 
additional time, but you will also aviod many useless
calculations that people with abundant resources will
do without thinking (and thus risking to waste their time).

should you then get access to larger resources, you 
will be able to make so much more efficient use of them, 
that you can have a huge advantage.

a second chance is in picking up problems, that others
have neglected as being not 'big' or 'flashy' enough.
this way you don't even have to 'compete' with others
in terms of available cpu resources.

hope this is of some help,
    axel.

IA> that`s why I am asking for other options.

p.s.: the alternative here of course would be that
_you_ try coming up with a more efficient method...

IA> Greetings from Dr Bothina Hamad (my supervisor).
IA> best regards
IA> Ihsan -physics department ,Jordan
IA>  
IA> 
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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