Error with GPU

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1

Dear Users,

I am using the following pair_style with 15May15 version and facing problem with running.

pair_style hybrid/overlay buck/coul/long/gpu 12.0 hbond/dreiding/lj 4 4.3 4.4 130.0

It is complaining for newton pair on for hbond/dreiding/lj and newton on not supported for buck/coul/long/gpu

Can anyone help me in this regard?

Thanks in advance
Karteek

2

Yes, from http://lammps.sandia.gov/doc/accelerate_gpu.html :

The "off" setting for pairwise interaction is currently required for GPU package
pair styles.

HTH,

Pierre

3

Dear Users,

I am using the following pair_style with 15May15 version and facing problem
with running.

pair_style hybrid/overlay buck/coul/long/gpu 12.0 hbond/dreiding/lj
4 4.3 4.4 130.0

It is complaining for newton pair on for hbond/dreiding/lj and newton on not
supported for buck/coul/long/gpu

Can anyone help me in this regard?

no.

but what is the point? with this setup most of the calculation will be
done on the CPU anyway, so there will be little speedup.