[gmx-users] calculation time

[ahmet yıldırım]

For example;

grompp -f run.mdp -p topol.top -c pr.gro -n index.ndx -o run.tpr
mdrun -v -deffnm run

...
15000000 steps,  30000.0 ps.
step 100, will finish Sun Nov 27 19:11:00 2011

Sometimes it shows as the following:
15000000 steps,  30000.0 ps.
That is, there is not "will finish Sun Nov 27 19:11:00 2011" sentence


2011/10/19 Emanuel Birru <Emanuel.Birru at monash.edu>

> You can get them in the log file. (At the bottom)
>
> Cheers,
>
>
>
>
>
>
>
> =========================================================
> Emanuel Birru
> PhD Candidate
>
> Faculty of Pharmacy and Pharmaceutical Sciences
> Monash University (Parkville Campus)
> 381 Royal Parade, Parkville
> Victoria 3052, Australia
>
> Tel: Int + 61 3 9903 9187
> E-mail: emanuel.birru at monash.edu
> www.pharm.monash.edu.au
>
> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org]
> On Behalf Of Mark Abraham
> Sent: Wednesday, 19 October 2011 3:08 PM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] calculation time
>
> On 19/10/2011 5:26 AM, ahmet yıldırım wrote:
> > Dear users,
> >
> > Sometimes, in the end ( in production simulation), Gromacs doesn't
> > show calculation/finish time on screen, why? How can we show it?
>
> I don't know what you mean.
>
> Mark
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-- 
Ahmet YILDIRIM
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