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make-mk-just-keep-it
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Fri, May 9, 10:58

make-mk-just-keep-it
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#! /usr/bin/perl
# just keep this file unchanged for mk
# 6 oct 2021
$code = "dlma/simulation_files/bin/simulation";
$bin = "dlma/postprocessing/bin";
sub USAGE { print<<EOF;
perl ./make_mk [-compile] -lattice=<0/1> -D=<2/3> -N=<N> -Nseed=<Nseed> -L=<L> -seed=<seed> -periodic -run -config=.. -eval=..
example:
perl ./make_mk -compile
perl ./make_mk -lattice=1 -D=2 -N=100 -Nseed=1 -L=10 -seed=1 -periodic -run
perl ./make_mk -lattice=1 -D=2 -N=100 -Nseed=1 -phi=0.1 -seed=1 -periodic -run -eval=2
perl ./make_mk -config=1.csv -eval=2
perl ./make_mk -lattice=0 -D=2 -N=100 -Nseed=1 -phi=0.1 -seed=1 -periodic -run -eval=1
EOF
exit;
};
sub COMPILE {
print `cd dlma/postprocessing; make all`;
print `cd dlma/simulation_files; make all`;
};
sub CREATE_PARAM_FILE {
open(P,">params.csv"); print P<<EOF;
system=dlma
lattice=$lattice
aggregation_type=normal
aggregation_condition=mass
bind=normal
movement=brownian
D=$D
N=$N
N_s=$Nseed
EOF
if ($phi) { print P "phi=$phi\n"; };
print P<<EOF;
alpha=0.5
seedMass=1000000000000.0
rng_seed=9
EOF
$sep="_bc="; foreach $d (0 .. $D-1) { print P "x$d$sep$periodic\n"; };
# $sep="_L="; foreach $d (0 .. $D-1) { print P "x$d$sep$L\n"; };
print P<<EOF;
alpha=-0.5
seedMass=1000000000000.0
N_s=$Nseed
rng_seed=$seed
EOF
close(P); print "created params.csv\n";
};
$periodic=0; $run=0; $eval=0;
if ($#ARGV eq -1) { USAGE; };
foreach $arg (@ARGV) { ($field,$value)=split(/=/,$arg);
if ($arg eq "-compile") { COMPILE; };
if ($field eq "-lattice") { $lattice=$value; };
if ($field eq "-D") { $D=$value; };
if ($field eq "-N") { $N=$value; };
if ($field eq "-Nseed") { $Nseed=$value; };
if ($field eq "-periodic") { $periodic="periodic"; };
if ($field eq "-L") { $L=$value; $lo=-$L/2; $hi=$L/2; };
if ($field eq "-phi") { $phi=$value; };
if ($field eq "-seed") { $seed=$value; };
if ($field eq "-eval") { $eval=$value; };
if ($field eq "-run") { $run=1; };
if ($field eq "-config") { $config="$value"; };
};
sub CREATE_XYZ {
open(C,"<$config"); while (!eof(C)) { $line=<C>; chomp $line; ($field,$value)=split(/=/,$line); print "field $field value $value\n"; $attachments=0;
if ($field eq "D") { $D=$value; };
if ($field eq "x0_lo") { $lo[0]=$value; }; if ($field eq "x0_hi") { $hi[0]=$value; };
if ($field eq "x1_lo") { $lo[1]=$value; }; if ($field eq "x1_hi") { $hi[1]=$value; };
if ($field eq "x2_lo") { $lo[2]=$value; }; if ($field eq "x2_hi") { $hi[2]=$value; };
if ($field eq "N") { $N=$value; print "N=$N from config\n"; };
if ($field =~ /^id,/) { foreach $j (1 .. $N) { $line=<C>; chomp $line; @tmp=split(/,/,$line); foreach $k (1 .. $D) { $x[$j][$k]=$tmp[$k]; }; $attachments+=$tmp[4+$D]; }; };
};
$attachments/=$N; open(A,">$config-attachments.dat"); print A "$attachments"; close(A); print "created $config-attachments.dat\n";
foreach $k (0 .. $D-1) { $box[$k]=$hi[$k]-$lo[$k]; };
open(C,">$config.xyz"); print C "$D @box\n"; foreach $i (1 .. $N) { foreach $k (1 .. $D) { print C "$x[$i][$k] "; }; print C "\n"; }; close(C);
print "created $config.xyz\n";
# print "scp $config.xyz mkroeger\@polyphys-s09.ethz.ch:~/Downloads\n";
};
sub GO { print "calling $command\n"; `$command`; my @tmp=split(/ /,$command); print "created ",`ls -1t $tmp[$#tmp]`; };
if ($N) {
CREATE_PARAM_FILE;
print `cat params.csv`;
};
if (-s "$config") { } else { print "file $config does not yet exist\n"; $config="config.csv"; };
if ($run eq 1) { $command="$code params.csv $config"; GO; };
CREATE_XYZ;
if ($eval>=1) { $drij = 0.1; $command = "$bin/pair_correlation $config $drij $config-Fr.dat"; GO; };
if ($eval>=2) { $qmin = 0.1; $qmax = 10; $numq = 20; $command = "$bin/sq_vs_q $config $qmin $qmax $numq $config-Sq.dat"; GO; };
if ($eval>=3) { $command = "$bin/radius_of_gyration $config $config-Rg.dat"; GO; };
if ($eval>=4) { $command = "$bin/unfold $config $config-unfolded.dat"; GO; };

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