Thanks for the clarification, Jason.
Cheers,
iordan
On Thu, Sep 4, 2014 at 7:02 AM, Jason Swails <jason.swails.gmail.com> wrote:
> On Wed, Sep 3, 2014 at 10:34 PM, i iordanov <iiordanov.gmail.com> wrote:
>
>> Hello,
>>
>> I have tried to follow this document:
>>
>> http://jswails.wikidot.com/installing-ambertools-14-and-older-amber
>>
>> To install AmberTools14 along-side Amber12. I have a working
>> cuda-enabled installation of AmberTools13 with Amber12, installed in
>> /opt/amber12. I've unpacked AmberTools14 in /opt/amber14. I've set the
>> environment variables like this:
>>
>> $ echo $AMBERHOME
>> /opt/amber14
>>
>> I've run the configure script successfully and applied all patches like
>> this:
>>
>> $ cd /opt/amber14 ; ./configure -noX11 -cuda gnu
>>
>> However, when I try to run make install, I get:
>>
>> $ cd /opt/amber14 ; make install
>> cd AmberTools/src && make install
>> make[1]: Entering directory `/opt/amber14/AmberTools/src'
>> AmberTools14 has no CUDA-enabled components
>> (cd ../../src && make cuda )
>> make[2]: Entering directory `/opt/amber14/src'
>> make[2]: *** No rule to make target `cuda'. Stop.
>> make[2]: Leaving directory `/opt/amber14/src'
>> make[1]: [cuda] Error 2 (ignored)
>> make[1]: Leaving directory `/opt/amber14/AmberTools/src'
>> ==============================================================
>> /opt/amber14/src/Makefile not found, or -noamber was set.
>> This is expected if you do not have Amber14.
>> ==============================================================
>>
>> It seems something very basic is missing. Can you please help me build
>> AmberTools14 in this environment?
>>
>
> The only CUDA-accelerated component that we distribute is pmemd.cuda.
> AmberTools does not come with pmemd.cuda. It says in the message
> "AmberTools14 has no CUDA-enabled components", and it then tries to build
> pmemd.cuda, resulting in the error. The fix to this problem is to purchase
> and download Amber 14.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
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> AMBER.ambermd.org
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--
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Received on Thu Sep 04 2014 - 10:30:02 PDT
