Thanks Dan I've just realized it :)
So.. please some one help me in my another topic dealing with the
compilation of sander.MPI
James
2014-05-01 18:17 GMT+04:00 James Starlight <jmsstarlight.gmail.com>:
> ah
>
> I've just realized that I'm working with amber tools-14 not the amber-14
> itself and what I need is the *pmemd not the sander* :)
>
> Does it possible to run simulations using cuda in sanders included in AT ?
>
> James
>
>
> 2014-05-01 18:06 GMT+04:00 James Starlight <jmsstarlight.gmail.com>:
>
> David,
>>
>>
>> my $AMBERHOME/src/ consist of only link to config.h
>>
>> If I use
>> ./configure gnu
>> make install
>> (or just run install.sh)
>> I install Amber without any problems (but makefile in ../src is still
>> absent)
>>
>> if I add -cuda flag to configure I've obtained above error.
>> It looks like some bug rather my inability to do simplest tasks. In any
>> case please provide me with step-by-step how I could compile gnu-based
>> amber because I've followed each step of manual.
>>
>>
>>
>>
>>
>> 2014-05-01 17:54 GMT+04:00 David A Case <case.biomaps.rutgers.edu>:
>>
>> On Thu, May 01, 2014, James Starlight wrote:
>>> >
>>> > Could you explain it in more details?
>>> >
>>> > Previously I've installed amber without cuda from the amber14 source
>>> dir
>>> > ./configure gnu
>>> > make install
>>>
>>> This won't install Amber14 if you don't have Amber14.
>>>
>>> > > > /home/own/amber14/src/Makefile not found,
>>>
>>> You need to use a terminal, or the Finder (or file explorer or
>>> something...),
>>> naviate to the /home/own/amber14/src directory, and see if you have a
>>> file
>>> called "Makefile".
>>>
>>> Details depend on the operating system you are using. If you are not
>>> used to
>>> doing things like this, see if you can find a friend with more computer
>>> experience to help out. You are going to need to be able to explore
>>> problems
>>> like this one to make effective use of Amber.
>>>
>>> ...dac
>>>
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>
>>
>
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Received on Thu May 01 2014 - 07:30:05 PDT
