Hi
I need to dump the local contact information between the particles for every step during the simulation.
But the whole script is in the loop for variable $a
Problem These particular compute (pair/gran/local) command is giving the error as follows
ERROR: Compute pair/gran/local (id cpg2): Need to define this compute before first run (../compute_pair_gran_local.cpp:127)
However the for variable equal to 1, script working fine, the problem starts with the next value of the variable
compute cpg$a all pair/gran/local pos vel force force_normal force_tangential delta
compute cpg2 all pair/gran/local pos vel force force_normal force_tangential delta
ERROR: Compute pair/gran/local (id cpg2): Need to define this compute before first run (../compute_pair_gran_local.cpp:127)
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[51073,1],1]
Exit code: 1
Can you give/discuss suggestions ,
snipt of codes is as follows
# local/pair information -------------------------------------------------------------------
compute cpg$a all pair/gran/local pos vel force force_normal force_tangential delta
#Maximum Contact Force
compute fx$a all reduce max c_cpg$a[1]
compute fy$a all reduce max c_cpg$a[2]
compute fz$a all reduce max c_cpg$a[3]
variable fmag atom sqrt(c_fx$a^2+c_fy$a^2+c_fz$a^2)
compute maxfmag$a all reduce max v_fmag
variable maxcm equal c_maxfmag$a
# output settings, include total thermal energy
fix ts all check/timestep/gran 1000 0.15 0.15
compute 3$a all erotate/sphere
thermo_style custom step atoms ke c_3$a vol f_ts[1] f_ts[2]
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
variable dump_file equal 1000