[gmx-users] how to restart a stopped simulation
ananyachatterjee at iiserkol.ac.in
Mon Nov 12 07:24:54 CET 2012
I have restarted my simulation stopped due to power failure by using
mdrun -s md.tpr -cpi state.cpt -append
And now I am getting the following error:
Program mdrun, VERSION 4.0.7
Source code file: ../../../../src/gmxlib/checkpoint.c, line: 547
The checkpoint file is empty/corrupted, or maybe you are out of quota?
can any one help in this regards.
I have two .cpt files one state.cpt (0 bytes) and another
state_prev.cpt file(5.4 MB). Should I have to use state_prev.cpt file to
restart the simulation?
On Mon, 12 Nov 2012 11:37:02 +0530, Kavyashree M wrote:
> Hi Ananya,
> You can refer this.
> On Mon, Nov 12, 2012 at 11:27 AM, ananyachatterjee <
> ananyachatterjee at iiserkol.ac.in> wrote:
>> Hi all,
>> my simulation has stopped due to power failure, can anyone tell me
>> how to
>> restart it from the same point.
>> Ananya Chatterjee,
>> gmx-users mailing list gmx-users at gromacs.org
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