From: gbellesia_at_chem.ucsb.edu
Date: Sat Apr 29 2006 - 17:16:54 CDT
Hi all,
I'm still struggling with a TCLboundaryforces script taht works fine
in standalone mode and randomly crashes if I run my simulation on
many processors.
Is there someone which is working with TCL boundary forces having no
problems in parallel simulations ?
Also could someone explain to me this paragraph from the NAMD UG:
.. page 75
The script provided in tclBCScript and the calcforces procedure it
defines are executed in multiple Tcl interpreters, one for every
processor that owns patches. These tclBC interpreters do not share
state with the Tcl interpreter used for tclForces or config file
parsing. The calcforces procedure is passed as arguments the current
timestep, a â~@~\uniqueâ~@~] flag which is non-zero for exactly one Tcl
interpreter in the simulation (that on the processor of patch zero),
and any arguments provided to the most recent tclBCArgs option. The
â~@~\uniqueâ~@~] flag is useful to limit printing of messages, since the
command is invoked on multiple processors.
I'm not sure I understood the multiple tcl interpreters 'thing' and
also how the 'unique' flag works.
Thanks for your help
Giovanni
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