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 - 07:30:04 PDT
