I am using this PWTK TCL code for multiple runs at a time. The first is successful, but the next following runs fail and showing the mentioned error. Could you suggest how to solve the issue?
#######################################
#load the pw.x input from file
load_fromPWI si.scf.in
# open a file for writing resulting total energies
set fid [open Etot-vs-ecutwfc.dat w]
# loop over different "ecut" values
foreach ecut [seq 12 4 40] {
# name of I/O files: $name.in & $name.out
set name Si.scf.ecutwfc-$ecut
# set the pw.x "ecutwfc" variable
SYSTEM "ecutwfc = $ecut"
# run the pw.x calculation
runPW $name.in
# extract the "total energy" and write it to file
set Etot [pwo_totene $name.out]
puts $fid "$ecut $Etot"
}
close $fid
# plot the result with gnuplotWell, apparently, one of the commands/procedures in your script is opening a pipe to another program, but that is not in the source code you show. So it is prettly difficult for us to identify the cause of the error. And the software you refer to is not
exec gnuplot plot.gp
##################################
Best,
Pradip
~
I am using this PWTK TCL code for multiple runs at a time. The first is successful, but the next following runs fail and showing the mentioned error. Could you suggest how to solve the issue?
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