Additionally gromacs and openmm probably have free gpu versions.
Hai
> On Dec 7, 2016, at 7:39 PM, Nhai <nhai.qn.gmail.com> wrote:
>
> 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 - 17:00:03 PST
