From: Pijush Ghosh (pijush.medinipur_at_gmail.com)
Date: Mon Nov 12 2007 - 19:14:25 CST
Hello all:
I posted this problem earlier and Victor suggested me the follwoing
script for finding forces on individual atom(s). This script is
working fine for Victor but showing the following error for me. Can
anybody comment on what could be the possible reasons for this error.
The 'loadcoords' command is working fine, but problem is with
'loadtotalforces' command
tclForces on
tclForcesScript {
set aid1 323
addatom $aid1
proc calcforces {} {
global aid1
# loadcoords r
# print "The coordinates of atom $aid1 are: $r($aid1)"
loadtotalforces f
set timestep [getstep];
if { ($timestep > 0) } { print $f($aid1)}
ERROR !!!!
FATAL ERROR: wrong # args
while executing
"getstep"
(procedure "calcforces" line 5)
invoked from within
"calcforces"
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: wrong # args
while executing
"getstep"
(procedure "calcforces" line 5)
invoked from within
"calcforces"
Charm++ fatal error:
FATAL ERROR: wrong # args
while executing
"getstep"
(procedure "calcforces" line 5)
invoked from within
"calcforces"
Aborted
Pijush,
Johns Hopkins University.
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