LAMMPS-9Dec14 (ERROR: Invalid fix style (../modify.cpp:762))

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1

Dear Sir/Madam,

I have followed below mentioned steps to compile lammps-9Dec14 with USER-MISC package.

src]$ make yes-user-misc
Installing package user-misc

then done: make mpi

I have pasted make package-status output here for your reference:

2

Dear Sir/Madam,

         I have followed below mentioned steps to compile lammps-9Dec14 with
USER-MISC package.

src]$ make yes-user-misc
Installing package user-misc

then done: make mpi

I have pasted make package-status output here for your reference:

##################################################################

make package-status 2>&1 | tee LOG-make-package-status-On18Mar2015-1

Installed NO: package ASPHERE

Installed NO: package BODY

Installed NO: package CLASS2

Installed NO: package COLLOID

Installed NO: package DIPOLE

Installed NO: package FLD

Installed NO: package GPU

Installed NO: package GRANULAR

Installed NO: package KIM

Installed NO: package KOKKOS

Installed YES: package KSPACE

Installed YES: package MANYBODY

Installed NO: package MC

Installed NO: package MEAM

Installed NO: package MISC

Installed YES: package MOLECULE

Installed NO: package MPIIO

Installed NO: package OPT

Installed NO: package PERI

Installed NO: package POEMS

Installed NO: package QEQ

Installed NO: package REAX

Installed NO: package REPLICA

Installed NO: package RIGID

Installed NO: package SHOCK

Installed NO: package SNAP

Installed NO: package SRD

Installed NO: package VORONOI

Installed NO: package XTC

Installed NO: package USER-ATC

Installed NO: package USER-AWPMD

Installed NO: package USER-CG-CMM

Installed NO: package USER-COLVARS

Installed NO: package USER-CUDA

Installed NO: package USER-EFF

Installed NO: package USER-FEP

Installed NO: package USER-INTEL

Installed NO: package USER-LB

Installed YES: package USER-MISC

  src/fix_srp.cpp and USER-MISC/fix_srp.cpp are different

Installed NO: package USER-MOLFILE

Installed NO: package USER-OMP

Installed NO: package USER-PHONON

Installed NO: package USER-QMMM

Installed NO: package USER-REAXC

Installed NO: package USER-SPH

#########################################################################

As diff is :

166c166
< // int *tag = atom->tag;
---

//int *tag = atom->tag;

The executable is lam_mpi

While I am executing below mentioned command :

time mpirun -np 4 lammps-9Dec14/src/lmp_mpi < graphene.tip4p.LAMMPS.in

Getting below mentioned error:

# ------------- Equilibration ----------------
fix pistonkeep bothpistons setforce 0.0 0.0 NULL
fix piston1thrust piston1 aveforce NULL NULL 0.01 # squeezing the water
between two pistons at about 150 MPa each
fix piston2thrust piston2 aveforce NULL NULL -0.01
fix 1 water shake 1.0e-4 100 0 b \{waterbond\} a {waterangle}
fix 1 water shake 1.0e-4 100 0 b 1 a ${waterangle}
fix 1 water shake 1.0e-4 100 0 b 1 a 1
ERROR: Invalid fix style (../modify.cpp:762)

Supporting files are : geometry.dat, CH.airebo_real

Kindly suggest me the solution for this issue.

I will be greatly obliged for solution.

as you can see, your input stops at the fix shake line. now you should
read the documentation for fix shake carefully and the solution should
be obvious and you'll be embarrassed to have even asked for something
this obvious. :wink: (don't, but keep checking the documentation
carefully before asking in the future).

axel..

3

...and check this chapter of the manual, too.
http://lammps.sandia.gov/doc/Section_errors.html

4

Reading the doc page for fix shake (as Axel suggests) will

tell you that command is the RIGID package, which you

did not build with.

Steve