I suggest you contact customer support at moldex3d. if you tell them what you are trying to do they'll probably work with you.
Failing that, google says
Moldex3D Solver Command-Line Tool, a Linux executable one to launch Moldex3D or create PBS console program, is located at /opt/Moldex3D/Rxx/x64/Bin.
Usage 1 (Launch Moldex3D computing):
MDXSolverCommandlineTool -launch {bjs_file_path} {run_index} {module_index} {nprocess} {compute_node_file_path}
– bjs_file_path: The full path of MDXBatchRun.bjs.
– run_index: The index of the run to launch.
– module_index: The index of the module to launch.
– nprocess: Number of total MPI processes to launch.
– compute_node_file_path: The full path of the file containing nodes to use for computing.
The following environmental variables MUST be set before running the program.
– lmserver, lmport
– Example:
– export lmserver=192.168.1.1
– export lmport=2556
Usage 2 (Create PBS script for Moldex3D computing)
MDXSolverCommandlineTool -create_pbs_script {bjs_file_path} {nnode} {ppn} {job_script_output_folder}
– bjs_file_path: The full path of MDXBatchRun.bjs.
– nnode: Number of total node to use.
– ppn: Number of MPI processes to launch per node.
– job_script_output_folder: Output folder of the script
The following environmental variables MUST be set before running the program.
– lmserver, lmport
– Example:
– export lmserver=192.168.1.1
– export lmport=2556
Cheers
Greg Locock
New here? Try reading these, they might help FAQ731-376
