From: Leandro Martínez (leandromartinez98_at_gmail.com)
Date: Tue Oct 23 2007 - 01:55:23 CDT
Hello,
I am peforming a simulation in which I apply particular external forces
which I programmed using the TclBC scripting interface. Since the TclBC
is run on multiple processors, with one tcl interpreter for each processor,
everything I try to print (even from the begining, when outside de
calcforces procedure) is printed multiple times. I need to print information
during the run, to output files. This can be done using the TclBC interface,
or I need to go back to the tclForces interface (slower)?
Another question is that within the script I update some vectors that will
be used in the next step for the calculations. Fortunatelly there is only
atom-specific information on each vector, in such a way that the
distribution
among several processes is possible. However, I'm not sure how the
scripts handle these updated vectors when the script finishes, I mean,
do all the scripts update the vectors before launching the scripts again
in the next step or this information is lost?
Thanks in advance,
Leandro.
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