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boinc
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- LAMMPS 

svn path=/trunk/boinc/; revision=24984
This commit is contained in:
David Anderson 2012-01-03 08:13:38 +00:00
parent d1b85524db
commit d81fa10439
1 changed files with 6 additions and 0 deletions
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6
html/user/lammps.php
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@ -25,6 +25,7 @@ require_once("../inc/sandbox.inc");
// structure_file // structure_file
// lammps_script // lammps_script
// cmd_variables // cmd_variables
// pot_files (zipped potential files)
// //
// output: success flag, CPU time per step, est. disk usage per job // output: success flag, CPU time per step, est. disk usage per job
// //
@ -105,6 +106,7 @@ function show_submit_form() {
row2("Structure file", "<input name=structure_file>"); row2("Structure file", "<input name=structure_file>");
row2("Script file", "<input name=command_file>"); row2("Script file", "<input name=command_file>");
row2("Command-line file<br><span class=note>List of command lines, one per job</span>", "<input name=cmdline_file>"); row2("Command-line file<br><span class=note>List of command lines, one per job</span>", "<input name=cmdline_file>");
row2("Zipped potential files", "<input name=pot_files>");
row2("", "<input type=submit value=Prepare>"); row2("", "<input type=submit value=Prepare>");
end_table(); end_table();
echo "</form>"; echo "</form>";
@ -136,11 +138,13 @@ function prepare_batch($user) {
$structure_file_path = get_file_path($user, 'structure_file'); $structure_file_path = get_file_path($user, 'structure_file');
$command_file_path = get_file_path($user, 'command_file'); $command_file_path = get_file_path($user, 'command_file');
$cmdline_file_path = get_file_path($user, 'cmdline_file'); $cmdline_file_path = get_file_path($user, 'cmdline_file');
$pot_files_path = get_file_path($user, 'pot_files');
$info = null; $info = null;
$info->structure_file_path = $structure_file_path; $info->structure_file_path = $structure_file_path;
$info->command_file_path = $command_file_path; $info->command_file_path = $command_file_path;
$info->cmdline_file_path = $cmdline_file_path; $info->cmdline_file_path = $cmdline_file_path;
$info->pot_files_path = $pot_files_path;
// get the directory in which to run the test, // get the directory in which to run the test,
// clear it out, // clear it out,
@ -158,6 +162,7 @@ function prepare_batch($user) {
symlink($structure_file_path, "structure_file"); symlink($structure_file_path, "structure_file");
symlink($command_file_path, "lammps_script"); symlink($command_file_path, "lammps_script");
symlink($cmdline_file_path, "cmd_variables"); symlink($cmdline_file_path, "cmd_variables");
symlink($pot_files_path, "pot_files");
list($error, $est_cpu_time, $disk) = lammps_est(); list($error, $est_cpu_time, $disk) = lammps_est();
if ($error==0) { if ($error==0) {
@ -205,6 +210,7 @@ function submit_job($app, $batch_id, $info, $cmdline, $i) {
$cmd .= " --wu_name batch_".$batch_id."_".$i; $cmd .= " --wu_name batch_".$batch_id."_".$i;
$cmd .= " ".basename($info->structure_file_path); $cmd .= " ".basename($info->structure_file_path);
$cmd .= " ".basename($info->command_file_path); $cmd .= " ".basename($info->command_file_path);
$cmd .= " ".basename($info->pot_files_path);
echo "<br> $cmd\n"; echo "<br> $cmd\n";
$ret = system($cmd); $ret = system($cmd);