Re: [AMBER] Error in running AMBER 12 GPU simulations[application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0]

From: David A Case <>
Date: Thu, 7 Jan 2016 08:08:52 -0500

On Thu, Jan 07, 2016, Yogeeshwar Ajjugal wrote:
> Iam trying to run GPU simulations but its showing the MPI_Abort
> error. Here iam attaching my error file. please any help can be
> appreciated.
> *ERROR file as follows:*
> application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
> mv: cannot stat `restrt': No such file or directory

Simple response: don't even try to use pmemd.cuda.MPI. Make sure you can run
short simulations with the CPU version, and (if that works), with the serial
GPU version.

> At line 129 of file inpcrd_dat.F90 (unit = 9, file = 'pstep_1.rst')
> Fortran runtime error: End of file

It looks like there is something wrong with your restart file. Hard to say
anything more than that based on the information given here.


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Received on Thu Jan 07 2016 - 05:30:04 PST
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