From: zeynab mohamad hoseyni (zmhoseyni_at_yahoo.com)
Date: Tue Apr 22 2014 - 02:43:23 CDT
Dear All,
I've prepared a tclForce script (GLP1R_SA_1ns.tcl) for which I want to regularly reduce one parameter (kbteff)
every 40 step. Here is the script I embed at the end of the conf file so that regularly change the value of kbteff:
set kbteff 3
for { set i 1 } { $i <= 100 } { incr i 1 } {
tclForces on
set kbteff [expr {$kbteff-0.02}]
tclForcesScript GLP1R_SA_1ns.tcl
run 40
}
But at the end of the first 40 step I receive the following error:
TCL: Setting parameter tclForces to on
FATAL ERROR: Setting parameter tclForces from script failed!
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Setting parameter tclForces from script failed!
[0] Stack Traceback:
[0:0] _ZN4Node11scriptParamEP14ScriptParamMsg.+0x16 [0x8692266]
Fatal error on PE 0> FATAL ERROR: Setting parameter tclForces from script failed!
I then decided to change the conf file like following:
tclForces on
set kbteff 3
tclForcesScript GLP1R_SA_1ns.tcl
for { set i 1 } { $i <= 100 } { incr i 1 } {
# tclForces on
set kbteff [expr {$kbteff-0.02}]
# tclForcesScript GLP1R_SA_1ns.tcl
run 40
}
This removes the error but the output files producing in the tclForce script become like this:
0.000000 9.923174 -13.911186 20.701003 10.075576 -13.819931 20.780900
40.000000 9.880317 -13.919990 20.710416 9.942419 -13.908157 20.757862
40.000000 9.890157 -13.924910 20.719908 9.942419 -13.908157 20.757862
80.000000 9.826353 -13.970452 20.670468 9.886525 -13.902404 20.738881
80.000000 9.819510 -13.962151 20.676662 9.886525 -13.902404 20.738881
where the first column is the step number and the rest are the results obtained from tclforce script.
It's strange as it produces 2 outputs for one time step (for example 40) while it used to work properly when I
use one unique kbteff with no loop to change its value, like this:
tclForces on
set kbteff 3
tclForcesScript GLP1R_SA_1ns.tcl
run 40
The output is like:
0.000000 9.923174 -13.911186 20.701003 10.075576 -13.819931 20.780900
40.000000 9.880317 -13.919990 20.710416 9.942419 -13.908157 20.757862
80.000000 9.826353 -13.970452 20.670468 9.886525 -13.902404 20.738881
I have to mention that I put the output frequency in the tclforce script to be each 40 step.
Can anyone help on this?
Thanks,
Zeynab
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