[gmx-users] problem to continue MD run

[Williams Miranda]

Hello
This is the command line I am using:

mpiexec mdrun_mpi -v -s step7_production.tpr  -cpi step7_production.cpt -deffnm step7_production

and this is the error I get:

Output file appending has been requested,
but some output files listed in the checkpoint file step7_production.cpt
are not present or are named differently by the current program:
output files present: step7_production.log step7_production.xtc step7_production.edr
output files not present or named differently: step7_production.trr

-------------------------------------------------------
Program mdrun_mpi, VERSION 5.0.6
Source code file: /RQusagers/rqchpbib/stubbsda/gromacs-5.0.6/src/gromacs/gmxlib/checkpoint.c, line: 2640

Fatal error:
File appending requested, but 1 of the 4 output files are not present or are named differently
For more information and tips for troubleshooting, please check the GROMACS

Is it there any way I can continue the simulation without the *trr file?
Thanks
Williams
________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Mark Abraham [mark.j.abraham at gmail.com]
Sent: Thursday, May 12, 2016 1:32 AM
To: gmx-users at gromacs.org; gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] problem to continue MD run

Hi,

Please report the commands you are running, and copy and paste the error
message. Otherwise we're just wasting time guessing :-)

Mark

On Thu, May 12, 2016 at 4:12 AM Williams Miranda <
williams.miranda at ucalgary.ca> wrote:

> Dear GROMACS users
> I need to continue an unfinished simulation. Because of disk space, I
> deleted the *trr file. Unfortunately, when I try to continue the run using
> the -cpi option, gromacs complains that 1 of 4 files needed to continue the
> run is missing (likely, the *trr file). What could I do?
> Regards
> Williams
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