Pair hybrid sub-style error with Coul/Wolf

I used this pair_style hybrid/overlay and compute group/group in my code:

pair_style hybrid/overlay lj/cut 12 coul/wolf 0.25 12.0 tersoff
compute interaction CNT group/group CSH pair yes kspace no boundary no

and the following error ocuured:

Setting up run ...
WARNING: Inconsistent image flags (../domain.cpp:645)
Memory usage per processor = 29.9087 Mbytes
Step interact
ERROR on proc 1: Pair hybrid sub-style does not support single call (../pair_hybrid.cpp:678)

I used this pair_style hybrid/overlay and compute group/group in my code:

pair_style hybrid/overlay lj/cut 12 coul/wolf 0.25 12.0 tersoff
compute interaction CNT group/group CSH pair yes kspace no boundary no

and the following error ocuured:

Setting up run ...
WARNING: Inconsistent image flags (../domain.cpp:645)
Memory usage per processor = 29.9087 Mbytes
Step interact
ERROR on proc 1: Pair hybrid sub-style does not support single call (../pair_hybrid.cpp:678)
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun has exited due to process rank 1 with PID 3462 on
node mehdi-System-Product-Name exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
--------------------------------------------------------------------------

Is it because of coul/wolf potential???

no.

BTW: this is a questions that you could have *trivially* answered
yourself by setting up a minimal test input and try out each of the
sub-styles independently.

how can I fix it??

probably not without changing your model since the assumptions behind
compute group/group require pairwise additive potentials. depending on
what you want to compute, it might be possible using rerun and turning
off some of the interactions. please read the "restrictions" section
of compute group/group.

axel.

I think it is the tersoff potential in your pair hybrid. It will
not allow for a single() call, e.g. from compute group/group

Steve

But I have one another model which I used Tersoff potential with Lj/cut that could compute the group/group interaction?

pair_style hybrid tersoff lj/cut 10
pair_coeff * * tersof SiC.tersoff NULL C
pair_coeff 1 1 lj/cut 0.00485 4.01 10
pair_coeff 1 2 lj/cut 0.00465 3.582 9.56
comput fyt CNT group/group Polyethylene

and the thermo give me all the three components of the "fyt"

thermo_style custom step c_fyt[1] c_fyt[2] c_fyt[3]

But I have one another model which I used Tersoff potential with Lj/cut that could compute the group/group interaction?

pair_style hybrid tersoff lj/cut 10
pair_coeff * * tersof SiC.tersoff NULL C
pair_coeff 1 1 lj/cut 0.00485 4.01 10
pair_coeff 1 2 lj/cut 0.00465 3.582 9.56
comput fyt CNT group/group Polyethylene

hybrid is not hybrid/overlay.