Two questions

Dear LAMMPS experts,
I had two questions in using the Lammps.
1、The one is that when I run one script, the Lammps give the following information. How to deal with it?

The output (if any) follows:
poll: protocol failure in circuit setup
p0_7362: p4_error: Child process exited while making connection to remote process on node66: 0
rm_2528: (0.121094) net_send: could not write to fd=4, errno = 32
rm_l_38_2529: (0.121094) net_send: could not write to fd=5, errno = 32
rm_l_37_2520: (0.160156) net_send: could not write to fd=5, errno = 32
rm_2519: (0.160156) net_send: could not write to fd=4, errno = 32
rm_l_36_2511: (0.207031) net_send: could not write to fd=5, errno = 32
rm_7452: (1.468750) net_send: could not write to fd=4, errno = 32
rm_7392: (1.636719) net_send: could not write to fd=4, errno = 32
rm_7402: (1.609375) net_send: could not write to fd=4, errno = 32
rm_l_9_7453: (1.468750) net_send: could not write to fd=5, errno = 32
rm_2420: (0.632812) net_send: could not write to fd=4, errno = 32
rm_7412: (1.578125) net_send: could not write to fd=4, errno = 32
rm_l_26_2421: (0.632812) net_send: could not write to fd=5, errno = 32
rm_2510: (0.207031) net_send: could not write to fd=4, errno = 32
rm_7442: (1.496094) net_send: could not write to fd=4, errno = 32
rm_7382: (1.664062) net_send: could not write to fd=4, errno = 32
rm_l_10_7463: (1.441406) net_send: could not write to fd=5, errno = 32

2、 About the airebo potential which have been modified by Marcel Fallet and Steve Stuart 。 As far as I know, the parameters in the CH.airebo are fitted to the funciton which contain three terms (E_REBO、E_LJ、E_TORSION)。In the manual of Lammps,said that:If the two optional flag arguments to the pair_style command are included, the LJ and torsional terms can be turned off. Note that both or neither of the flags must be included." If turn off the the LJ and torsional terms, the parameters of E_REBO in CH.airebo would be varied ? or not changed them, the difference of the calculation results are tiny when have or not the two terms (E_LJ、E_TORSION).

It will be appreciated if someone here can provide some guidance.

2011/3/29 黄德明 <[email protected]>:

Dear LAMMPS experts,
I had two questions in using the Lammps.
1、The one is that when I run one script, the Lammps give the following
information. How to deal with it?

this looks like a problem in your cluster setup and not lammps related.
talk to the system administrator. perhaps node66 has a problem.

The output (if any) follows:
poll: protocol failure in circuit setup
p0_7362: p4_error: Child process exited while making connection to remote
process on node66: 0
rm_2528: (0.121094) net_send: could not write to fd=4, errno = 32
rm_l_38_2529: (0.121094) net_send: could not write to fd=5, errno = 32
rm_l_37_2520: (0.160156) net_send: could not write to fd=5, errno = 32
rm_2519: (0.160156) net_send: could not write to fd=4, errno = 32
rm_l_36_2511: (0.207031) net_send: could not write to fd=5, errno = 32
rm_7452: (1.468750) net_send: could not write to fd=4, errno = 32
rm_7392: (1.636719) net_send: could not write to fd=4, errno = 32
rm_7402: (1.609375) net_send: could not write to fd=4, errno = 32
rm_l_9_7453: (1.468750) net_send: could not write to fd=5, errno = 32
rm_2420: (0.632812) net_send: could not write to fd=4, errno = 32
rm_7412: (1.578125) net_send: could not write to fd=4, errno = 32
rm_l_26_2421: (0.632812) net_send: could not write to fd=5, errno = 32
rm_2510: (0.207031) net_send: could not write to fd=4, errno = 32
rm_7442: (1.496094) net_send: could not write to fd=4, errno = 32
rm_7382: (1.664062) net_send: could not write to fd=4, errno = 32
rm_l_10_7463: (1.441406) net_send: could not write to fd=5, errno = 32

2、 About the airebo potential which have been modified by Marcel Fallet and
Steve Stuart 。 As far as I know, the parameters in the CH.airebo are fitted
to the funciton which contain three terms (E_REBO、E_LJ、E_TORSION)。In the
manual of Lammps,said that:If the two optional flag arguments to the
pair_style command are included, the LJ and torsional terms can be turned
off. Note that both or neither of the flags must be included." If turn off
the the LJ and torsional terms, the parameters of E_REBO in CH.airebo would
be varied ? or not changed them, the difference of the calculation results
are tiny when have or not the two terms (E_LJ、E_TORSION).

i don't see a question there. please state your concern more clearly.

axel.

Re: AIREBO. The turn-off of the two terms is provided
more for debugging. If you want AIREBO, use all
3 terms. Leaving off the 2 terms is not REBO, which
many people assume, but they are not (quite) the same.

Steve

2011/3/29 黄德明 <[email protected]>: