[AMBER] Running pmemd.MPI across the nodes

From: Himanshu Joshi <himanshuphy87.gmail.com>
Date: Thu, 23 Jun 2016 11:30:35 +0000

Hello all,
I have installed amber14 on the master node of a clusters
having multiple nodes. When I am running pmemd.MPI on
single node (24 processor), it is running well(reasonable performance). But
as soon as I run the job on multiple nodes, it starts but gets killed after
few steps (~3000) MD steps with the following error,

"Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.
Backtrace for this error:
#0 0x2B9D88B2B4C7"

I am using mpirun (mvapich2-1.7a2) to do parallel processing.
Any suggestion or clue about this error would be highly appreciable.
Thank you

With Regards
Himanshu Joshi
Department of Physics
IISc Bangalore

-- 
With Regards
Himanshu Joshi
Department of Physics
IISc Bangalore India
560012
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Received on Thu Jun 23 2016 - 05:00:02 PDT
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