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#!/usr/bin/perl
use strict;
use warnings;
my ($file,$pbsname) = @ARGV;
defined($pbsname) or die "USAGE: $0 file pbsname\n";
my $ext=" ";
if ($file =~ /\.([^\.]*$)/) {
$ext = $1;
}
if ($ext eq "inp") {
makeTemplateInput($file);
} elsif ($ext eq "pbs") {
makeTemplateBatch($file,$pbsname);
} else {
die "$0: file must end in .inp or .pbs\n";
}
print STDERR "$0: WARNING: Check produced output before using\n";
sub makeTemplateBatch
{
my ($file,$pbsname) = @_;
defined($pbsname) or die "USAGE: $0 file.inp or $0 file.pbs pbsname\n";
open(FILE,$file) or die "$0: Cannot open file $file : $!\n";
while(<FILE>) {
if (/#PBS +\-N +(.*$)/) {
print "#PBS -N $pbsname\$\$site_\$\$site2\n";
next;
}
print;
last unless (/^#/);
}
close(FILE);
print "cd \$PBS_O_WORKDIR\n";
print "date\nperl dynamics\$\$dmrgOrLanczos.pl \$\$site \$\$site2 3 \$\$root \$\$operatorLabel\ndate\n\n";
}
sub makeTemplateInput
{
my ($file) = @_;
open(FILE,$file) or die "$0: Cannot open file $file : $!\n";
while(<FILE>) {
if (/^hubbardU/) {
my @temp = split;
die "$0: $_\n" if (scalar(@temp)<3);
print "##U=$temp[2]\n";
print "hubbardU \$hubbardU\n";
next;
}
if (/^potentialV/) {
my @temp = split;
print "##V=$temp[2]\n";
print "potentialV \$potentialV\n";
next;
}
if (/^OutputFile=/) {
print "OutputFile=\$data\n";
next;
}
if (/^DynamicDmrgType=/) {
print "DynamicDmrgType=\$type\n";
next;
}
if (/^TSPSites/) {
print "TSPSites \$sites\n";
next;
}
if (/^TSPLoops/) {
print "TSPLoops \$loops\n";
next;
}
last if (/^TSPOperator=/);
print;
}
close(FILE);
print<<EOF;
TSPOperator=raw
RAW_MATRIX
\$hilbertSize \$hilbertSize
\$matrix[0]
TSPOperator=raw
RAW_MATRIX
\$hilbertSize \$hilbertSize
\$matrix[1]
TSPOperator=raw
RAW_MATRIX
\$hilbertSize \$hilbertSize
\$matrix[2]
TSPOperator=raw
RAW_MATRIX
\$hilbertSize \$hilbertSize
\$matrix[3]
IsPeriodicX=0
EOF
}
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