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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Received on Thu Sep 04 2014 - 04:30:02 PDT
