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

2013-06-14 Thread Justin Lemkul
On 6/14/13 6:35 AM, Jianguo Li wrote: 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 . Otherwise use -noappend in the mdrun command. All the important files can be concatenated after the run, anyway. -Justin -

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

2013-06-14 Thread Jianguo Li
nt: 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,

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

2013-06-14 Thread zhaowh
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-- gmx-use

Re: [gmx-users] Failed to lock: md.log. No locks available.

2012-01-13 Thread lina
for GROMACS users > Sent: Friday, 13 January 2012, 18:51 > Subject: Re: [gmx-users] Failed to lock: md.log. No locks available. > > On Fri, Jan 13, 2012 at 4:57 PM, Mark Abraham > wrote: >> On 13/01/2012 7:08 PM, lina wrote: >>> >>> Hi, >>> >>&g

Re: [gmx-users] Failed to lock: md.log. No locks available.

2012-01-13 Thread Jianguo Li
There is a solution in this mailing list sometime before: mv md.log to some other folder and copy it back. Jianguo From: lina To: Discussion list for GROMACS users Sent: Friday, 13 January 2012, 18:51 Subject: Re: [gmx-users] Failed to lock: md.log. No

Re: [gmx-users] Failed to lock: md.log. No locks available.

2012-01-13 Thread lina
On Fri, Jan 13, 2012 at 4:57 PM, Mark Abraham wrote: > On 13/01/2012 7:08 PM, lina wrote: >> >> Hi, >> >> Failed to lock: md.log. No locks available. > > > mdrun locks various files at various points. If it can't then GROMACS won't > continue, but the problem lies with the file system, and not wit

Re: [gmx-users] Failed to lock: md.log. No locks available.

2012-01-13 Thread Mark Abraham
On 13/01/2012 7:08 PM, lina wrote: Hi, Failed to lock: md.log. No locks available. mdrun locks various files at various points. If it can't then GROMACS won't continue, but the problem lies with the file system, and not with GROMACS. Possibly some phantom process still thinks it owns the fil

[gmx-users] Failed to lock: md.log. No locks available.

2012-01-13 Thread lina
Hi, Failed to lock: md.log. No locks available. still the same problem I met before, once I terminated, resume not work, there is a md.log file. $ mount /dev/sda1 on / type ext3 (rw) none on /proc type proc (rw) none on /sys type sysfs (rw) none on /dev/pts type devpts (rw,gid=5,mode=620) usbfs