Re: [AMBER] STOP PMEMD Terminated Abnormally

From: Elvis Martis <elvis.martis.bcp.edu.in>
Date: Mon, 27 Nov 2017 16:10:36 +0000

Hi,
Can you post the out file?

Best Regards
Elvis Martis
Mumbai, INDIA.

________________________________________
From: MinYuan <minyuan.mail.ustc.edu.cn>
Sent: 27 November 2017 21:38
To: amber.ambermd.org
Subject: [AMBER] STOP PMEMD Terminated Abnormally

Hi,

I learned tutorial at http://ambermd.org/tutorials/advanced/tutorial18/section2.htm
instead of using command "mpiexec -n 4 sander.MPI -i heat.mdin -c 4LYT.min.rst7 -p 4LYT.parm7 -ref 4LYT.min.rst7 -cpin 4LYT.cpin -o 4LYT.heat.mdout -r 4LYT.heat.rst7 -x 4LYT.heat.nc"
I used command "pmemd.cuda -O -i heat.mdin -c 4LYT.min.rst7 -p 4LYT.parm7 -ref 4LYT.min.rst7 -cpin 4LYT.cpin -o 4LYT.heat.mdout -r 4LYT.heat.rst7 -x 4LYT.heat.nc"

and error comes as:STOP PMEMD Terminated Abnormally!

Looking forward to hear your reply soon.

Best wishes

Yuan Min
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Received on Mon Nov 27 2017 - 08:30:03 PST