[lammps-users] GPUs on multiple nodes:

Dear lammps-users,

I am trying to use a cluster having multiple nodes, having a GPU per node.
My LAMMPS compilation (21-Dec-2010) does well with a single GPU
("pair_style lj/cut/gpu 2.5")
however,

pair_style lj/cut/gpu one/node 0 2.5

gives

ERROR: Illegal pair_style command

I am using openmpi/gcc with no fftw.

I will be more than happy to provide any other details ....

The script is : (modified bench/in.lj)

newton off

variable x index 1
variable y index 1
variable z index 1

variable xx equal 16*$x
variable yy equal 16*$y
variable zz equal 16*$z

units lj
atom_style atomic

lattice fcc 0.8442
region box block 0 \{xx\} 0 {yy} 0 ${zz}
create_box 1 box
create_atoms 1 box
mass 1 1.0

velocity all create 1.44 87287 loop geom

pair_style lj/cut/gpu one/gpu 0 2.5
pair_coeff 1 1 1.0 1.0 2.5

neighbor 0.3 bin
neigh_modify delay 0 every 20 check no

fix gpufix1 all gpu force/neigh 0 0 -1
fix 1 all nve
thermo 50
run 100000

Thanks!
Manish Agarwal
<[email protected]>
- - - - - - - - - - - - - - - - - - - - - - - - - - -

Dear lammps-users,

I am trying to use a cluster having multiple nodes, having a GPU per node.
My LAMMPS compilation (21-Dec-2010) does well with a single GPU
("pair_style lj/cut/gpu 2.5")
however,

pair_style lj/cut/gpu one/node 0 2.5

gives

ERROR: Illegal pair_style command

and rightfully so. please re-read the documentation and
show me where the "one/node 0" setting is mentioned.

thanks,
    axel.