GPU execute

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1

Dear lammps users,

I have a question: I am trying run lammps on GPU, if I set the command on input file:

package gpu 0 0 1.0

The CPU calculates something or GPU calculates all?

I am comparing the computation time between GPU and CPU, and my first results show that CPU is faster than GPU, is possible this?

Thanks,

2

the GPU package is set up to run some of the calculation on the GPU
(basically only stuff that is worth it) and other parts concurrently
on the CPU. you can read the details here
http://lammps.sandia.gov/doc/Section_accelerate.html#acc_6 and in the
three publications explaining different components of the
implementation

3

Axel thanks for your advice,

So, the way to assign several CPU per device is using mpirun or mpiexec:

mpirun -np 8 lmp_openmpi <in.gpu

Then, I assigned 8 proc(s) per device?

4

Axel thanks for your advice,

So, the way to assign several CPU per device is using mpirun or mpiexec:

mpirun -np 8 lmp_openmpi <in.gpu

Then, I assigned 8 proc(s) per device?

depends on how many GPUs you have. please re-read the Manual and the
README files very carefully.