[gmx-users] Failed to lock: md.log.

Jianguo Li ljggmx at yahoo.com.sg
Fri Jun 14 12:35:24 CEST 2013



You can try move "md.log" to some folder and then copy back such as:
1) mv  md.log /some_folder 
2) cp  /some_folder/md.log .


It works for me


Jianguo 


----- Original Message -----
From: zhaowh <zhaowh at mail.ustc.edu.cn>
To: gmx-users <gmx-users at gromacs.org>; gmx-users <gmx-users at gromacs.org>; gmx-users <gmx-users at gromacs.org>; gmx-users <gmx-users at gromacs.org>; gmx-users <gmx-users at gromacs.org>; gmx-users <gmx-users at gromacs.org>
Cc: 
Sent: Friday, 14 June 2013, 17:35
Subject: [gmx-users] Failed to lock: md.log. 

Hi everyone,

When I restart the simulation as the following: "mdrun -s tpxout -cpi", a fatal error is arised (Fatal error: Failed to lock: md.log. Already running simulation?). But I have the files: md.log, traj.xtc, ender.edr, etc.

Thank you for your attention and answer.




zhaowh
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