boinc/html/user/lammps.php

279 lines
7.9 KiB
PHP

<?php
// script for submitting batches of LAMMPS jobs
//
// When a batch is submitted, this script runs the first job
// until 1 time step is completed;
// this verifies that the input files are OK and gives us
// an estimate of the FLOPS needed for the batch.
//
// These test executions are done in the directory
// project/lammps_test/USERID.
// We assume that lammps_test exists and contains the LAMMPS executable
error_reporting(E_ALL);
ini_set('display_errors', true);
ini_set('display_startup_errors', true);
require_once("../inc/util.inc");
require_once("../inc/submit_db.inc");
require_once("../inc/sandbox.inc");
// test a LAMMPS job
//
// the current directory must contain
// structure_file
// lammps_script
// cmd_variables
// pot_files (zipped potential files)
//
// output: success flag, CPU time per step, est. disk usage per job
//
function lammps_est() {
$avg_cpu = 0;
$disk_space = 0;
$test_result = 0;
$descs = array();
$pipes = array();
$options = file("cmd_variables");
$cmd = "../lmp_linux ".$options[0];
echo $cmd;
$p = proc_open("$cmd", $descs, $pipes);
system("unzip pot.zip");
while (1) {
if (file_exists("log.1")) {
$avg_cpu = calc_step_cpu("log.1");
if ($avg_cpu != 0) {
//echo "avg_cpu is ".$avg_cpu."\n";
proc_terminate($p);
$test_result = 1;
break;
}
}
//echo "sleeping\n";
sleep(1);
}
return array($test_result, $avg_cpu, $disk_space);
}
function calc_step_cpu($filename) {
$fd = fopen("$filename", "r");
$start_line = "Step CPU flow_com avoo";
$start = 0;
$start_step = 1;
$cur_step = 1;
$avg_cpu = 0;
if (!$fd) {
echo "fail to open file log.1";
exit(-1);
}
while (!feof($fd)) {
$line = fgets($fd,4096);
if (strlen($line) > strlen($start_line)
&& substr_compare($line, $start_line, 0, strlen($start_line)) == 0
) {
$start = 1;
continue;
}
if (!$start) continue;
$arr = preg_split("/\s+/", $line);
if (count($arr)!=6 || !is_numeric($arr[1])) {
continue;
}
$step = (int)$arr[1];
$cpu = (float)$arr[2];
if ($cpu==0) {
$start_step = $step;
} else {
$cur_step = $step;
if ($cur_step-$start_step>=5) {
$avg_cpu = $cpu/($cur_step-$start_step);
//echo "avg_cpu is ".$avg_cpu;
break;
}
}
}
return $avg_cpu;
}
function area_select() {
return "
<select name=area>
<option value=\"Air filtration\">Air filtration</option>
<option value=\"Water filtration\">Water filtration</option>
<option value=\"Ultra-low friction\">Ultra-low friction</option>
</select>
";
}
function show_submit_form($user) {
page_head("Submit LAMMPS jobs");
echo "
<form action=lammps.php>
<input type=hidden name=action value=prepare>
";
start_table();
row2("Structure file", sandbox_file_select($user, "structure_file"));
row2("Script file", sandbox_file_select($user, "command_file"));
row2("Command-line file<br><span class=note>List of command lines, one per job</span>", sandbox_file_select($user, "cmdline_file"));
row2("Zipped potential files", sandbox_file_select($user, "pot_files"));
row2("Area", area_select());
row2("", "<input type=submit value=Prepare>");
end_table();
echo "</form>";
page_tail();
}
// verify that an input file exists in sandbox, and return its physical path
//
function get_file_path($user, $name) {
$fname = get_str($name);
// verify that the files exist in sandbox
//
$sbdir = sandbox_dir($user);
list($error, $size, $md5) = sandbox_parse_link_file("$sbdir/$fname");
if ($error) error_page("no $name file");
return sandbox_physical_path($user, $md5);
}
function project_flops() {
$x = BoincUser::sum("expavg_credit");
if ($x == 0) $x = 200;
$y = 1e9*$x/200;
return $y;
}
function prepare_batch($user) {
$structure_file_path = get_file_path($user, 'structure_file');
$command_file_path = get_file_path($user, 'command_file');
$cmdline_file_path = get_file_path($user, 'cmdline_file');
$pot_files_path = get_file_path($user, 'pot_files');
$info = null;
$info->structure_file_path = $structure_file_path;
$info->command_file_path = $command_file_path;
$info->cmdline_file_path = $cmdline_file_path;
$info->pot_files_path = $pot_files_path;
$info->area = get_str("area");
// get the directory in which to run the test,
// clear it out,
// and set up links to the input files
//
$test_dir = "../../lammps_test/$user->id";
//echo "test_dir is ".$test_dir;
if (!is_dir($test_dir)) {
mkdir($test_dir);
}
if (!chdir($test_dir)) {
error_page("Can't chdir");
}
system("rm *");
symlink($structure_file_path, "structure_file");
symlink($command_file_path, "lammps_script");
symlink($cmdline_file_path, "cmd_variables");
symlink($pot_files_path, "pot_files");
list($error, $est_cpu_time, $disk) = lammps_est();
if ($error==0) {
error_page("LAMMPS test failed");
}
system("rm *");
$info->rsc_fpops_est = $est_cpu_time * 5e9;
$info->rsc_disk_bound = 1e8;
$tmpfile = tempnam("/tmp", "lammps_");
file_put_contents($tmpfile, serialize($info));
// get the # of jobs
//
$njobs = count(file($cmdline_file_path));
$total_flops = $njobs * $info->rsc_fpops_est;
$secs_est = $total_flops/project_flops();
$hrs_est = number_format($secs_est/3600, 1);
$client_mb = $info->rsc_disk_bound/1e6;
$server_mb = $njobs*$client_mb;
page_head("Batch prepared");
echo "
Your batch has $njobs jobs.
<p>
Estimated time to completion: $hrs_est hours.
<p>
Estimated client disk usage: $client_mb MB
<p>
Estimated server disk usage: $server_mb MB
<p>
";
show_button("lammps.php?action=submit&tmpfile=$tmpfile", "Submit Batch");
page_tail();
}
function submit_job($app, $batch_id, $info, $cmdline, $i) {
$cmd = "cd ../..; ./bin/create_work --appname $app->name --batch $batch_id --rsc_fpops_est $info->rsc_fpops_est";
if ($cmdline) {
$cmd .= " --command_line \"$cmdline\"";
}
$cmd .= " --wu_name batch_".$batch_id."_".$i;
$cmd .= " ".basename($info->structure_file_path);
$cmd .= " ".basename($info->command_file_path);
$cmd .= " ".basename($info->pot_files_path);
echo "<br> $cmd\n";
$ret = system($cmd);
if ($ret === FALSE) {
error_page("can't create job");
}
}
function submit_batch($user, $app) {
$tmpfile = get_str('tmpfile');
$x = file_get_contents("$tmpfile");
$info = unserialize($x);
$cmdlines = file($info->cmdline_file_path);
$njobs = count($cmdlines);
$now = time();
$batch_name = $info->area;
$batch_id = BoincBatch::insert(
"(user_id, create_time, njobs, name, app_id) values ($user->id, $now, $njobs, '$batch_name', $app->id)"
);
// $batch_id=99;
$i = 0;
foreach ($cmdlines as $cmdline) {
submit_job($app, $batch_id, $info, $cmdline, $i);
$i++;
}
}
$user = get_logged_in_user();
$user_submit = BoincUserSubmit::lookup_userid($user->id);
if (!$user_submit) error_page("no submit access");
$app = BoincApp::lookup("name='lammps'");
if (!$app) error_page("no lammps app");
if (!$user_submit->submit_all) {
$usa = BoincUserSubmitApp::lookup("user_id=$user->id and app_id=$app->id");
if (!$usa) {
error_page("no submit access");
}
}
$action = get_str('action', true);
switch ($action) {
case '': show_submit_form($user); break;
case 'prepare': prepare_batch($user); break;
case 'submit': submit_batch($user, $app); break;
default: error_page("no such action $action");
}
?>