[gmx-users] Is anyone also using lammps?s

[Peng Yi]

Hi, Ran,

Do you mean the simulation I used here for testing purpose?  That is
not long, maybe a few hours.  But my research will require simulations
for days.  If I will not use PME, do I still need a fftw?

-Peng

On Wed, 4 Nov 2009, Ran Friedman wrote:

> Hi Peng,
>
> It would be slower - never made any benchmarks on how much slower. But
> you don't run a very long simulation, do you?
> Installing it isn't a problem. If you use PME you also need fftw in
> double precision though.
>
> Ran
>
> Peng Yi wrote:
>>
>> Hi, Ran,
>>
>> No, I haven't.  I still have to find out how to install in double
>> precision.  Would double precision be slower than single?  If so,
>> how much?  Or just double the memory used?  Thanks,
>>
>> -Peng
>
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