Hi,
Thanks for the quick reply.
If I want run some simulations on my system, can I build and run AmberTools
only with '-mpi' option?? Or should I run 'Amber16_Benchmark_Suite'??
Thanks,
Juwen
2016-12-08 8:39 GMT+08:00 Nhai <nhai.qn.gmail.com>:
> Hi
>
> AmberTools (free) has no gpu stuff. You need to purchase amber16.
>
> Hai
>
> > On Dec 7, 2016, at 7:35 PM, Juwen <dolphinruru.gmail.com> wrote:
> >
> > Hi,
> >
> > I'm a new Amber user....
> > I download the AmberTools 16, try to build and run Amber on the systems
> > with NVIDIA GPUs, but failed to build with '-cuda' option.
> >
> > Can AmberTools build with '-cuda' option?? Other package is also need??
> > Please kindly give me some comment.
> >
> > Thanks,
> > Juwen
> >
> >
> > The detail commands and build errors as follows.
> >
> > <Commands>
> > ./configure -cuda gnu
> > make install
> >
> > <Errors>
> > cd AmberTools/src && make install
> > make[1]: Entering directory `/root/demotest/amber16/AmberTools/src'
> > AmberTools16 has no CUDA-enabled components
> > make[1]: Leaving directory `/root/demotest/amber16/AmberTools/src'
> > ==============================================================
> > /root/demotest/amber16/src/Makefile not found, or -noamber was set.
> > This is expected if you do not have Amber16.
> > ==============================================================
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Received on Wed Dec 07 2016 - 17:00:04 PST
