diff --git a/html/user/lammps.php b/html/user/lammps.php index 5f2e84c7f4..cf846a519f 100644 --- a/html/user/lammps.php +++ b/html/user/lammps.php @@ -25,6 +25,7 @@ require_once("../inc/sandbox.inc"); // structure_file // lammps_script // cmd_variables +// pot_files (zipped potential files) // // output: success flag, CPU time per step, est. disk usage per job // @@ -105,6 +106,7 @@ function show_submit_form() { row2("Structure file", ""); row2("Script file", ""); row2("Command-line file
List of command lines, one per job", ""); + row2("Zipped potential files", ""); row2("", ""); end_table(); echo ""; @@ -136,11 +138,13 @@ 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 = $pot_files_path; // get the directory in which to run the test, // clear it out, @@ -158,6 +162,7 @@ function prepare_batch($user) { 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) { @@ -205,6 +210,7 @@ function submit_job($app, $batch_id, $info, $cmdline, $i) { $cmd .= " --wu_name batch_".$batch_id."_".$i; $cmd .= " ".basename($info->structure_file_path); $cmd .= " ".basename($info->command_file_path); + $cmd .= " ".basename($info->pot_files_path); echo "
$cmd\n"; $ret = system($cmd);