Re: [AMBER] please tell me why this error is coming while doing the constant pH MD

From: Jason Swails <>
Date: Mon, 9 Dec 2013 14:30:09 -0500

On Mon, Dec 9, 2013 at 1:37 PM, anurag.dobhal <> wrote:

> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.

This message is simply telling you that the simulation died (on the master
thread). It provides no information as to why. Look for an actual error
message, particularly in the mdout file.

Good luck,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Mon Dec 09 2013 - 12:00:03 PST
Custom Search