How to Run Lammps on Stampede Xiao Zhu https://conferences.xsede.org/c/message_boards/find_message?p_l_id=&messageId=468176 2013-02-26T21:09:12Z 2013-02-26T21:09:12Z

Hi Ruizhi,<br /><br />Do you copy the executable directly from Ranger to Stampede? If so, you need to recompile the code. <br />We have a system-installed LAMMPS on stampede. Please use &#034;module load lammps&#034;. If you need a modified version, we can offer help to build it in your account.<br /><br />Best,<br />Xiao<br />TACC Consulting

Xiao Zhu 2013-02-26T21:09:12Z https://conferences.xsede.org/c/message_boards/find_message?p_l_id=&messageId=462411 2013-02-19T04:48:12Z 2013-02-19T04:48:12Z

Hello, everyone,<br /><br /> I just change my Lammps program from Ranger to Stampede. <br /> As usual, I wrote the job file like:<br /> #!/bin/bash<br /> #SBATCH -J myMPI # Job Name<br /> #SBATCH -o myMPI.o%j # Output and error file name<br /> #SBATCH -p development # Queue name<br /> #SBATCH -N 4 # Total num of Nodes requested 16 cores per Node<br /> #SBATCH -n 8 # Total num of mpi tasks requested<br /> #SBATCH -t 01:30:00 # Run time (hh:mm:ss)<br /> ibrun ./lmp_tacc &lt; in.AgCu<br /> and submit it use sbatch command. <br /> <br /> However, the error result comes out that:<br /> TACC: Starting up job 222035<br /> TACC: Setting up parallel environment for MVAPICH2+mpispawn.<br /> TACC: Starting parallel tasks...<br /> [c557-802.stampede.tacc.utexas.edu:mpirun_rsh][child_handler] Error in init phase, aborting! (0/4 mpispawn<br /> connections)<br /> TACC: MPI job exited with code: 1<br /> <br /> It seems to be a mpi problem.<br /> Can anyone help me to figure out what is the problem ?<br /><br /> Thank you very much!<br /><br /> Ruizhi

2013-02-19T04:48:12Z