AMBER Archive (2006)

Subject: AMBER: AMBER 8: Problem with MPI_Finalize

From: jrd (shuimd_at_yahoo.com)
Date: Fri Jul 07 2006 - 13:24:08 CDT

Dear Amber community,
 
 I am running MD simulations of protein in water solvation using Amber 8 on SGI Altix 3700 supercomputer cluster running Novell's SUSE Linux Enterprise Server (SLES). The simulation box consisits of 11,000 atoms. The simulation ran for 28,000 timesteps, and then it was terminated with the following error message.
 -------
 MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
 MPI: aborting job
 MPI: Received signal 9
 ----
 
 Could anybody please help me to identify the problems and suggest a solution to it?
 
 Best regards,
 
 Richard
 

                 
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