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

Peng Yi pengyi at MIT.EDU
Wed Nov 4 15:17:43 CET 2009

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?


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
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

More information about the gromacs.org_gmx-users mailing list