Anirban Ghosh wrote:
Thanks Mark for the reply.
The simulation ran fine and at the end of the .log file I got the
following line:
---------------------------------------------------------------------------------------------------------------------------------
Parallel run - timing based on wallclock.
NODE (s) Real (s) (%)
Time: 125029.000 125029.000 100.0
1d10h43:49
(Mnbf/s) (GFlops) (ns/day) (hour/ns)
Performance: 932.867 46.259 3.729 6.436
Finished mdrun on node 0 Fri Dec 11 22:58:06 2009
----------------------------------------------------------------------------------------------------------------------------------
There was no error and I did not ran out of disk space. What should I do
now? Can I repair this .trr file anyway?
Any suggestion is welcome.
Well if you haven't broken the file since (check its size), it was not
written properly during the calculation. This sort of thing can happen
with remote-mounted disks, etc. if the underlying filesystem is not solid.
Mark
On Fri, Dec 18, 2009 at 2:02 PM, Mark Abraham <[email protected]
<mailto:[email protected]>> wrote:
Anirban Ghosh wrote:
Thanx Tsjerk for the reply.
I checked the .trr files with gmxcheck and one of the .trr files
is giving the error:
---------------------------------------------------------------------------------------------------------------------------
Checking file PRO_DAH_10_NS.part0004.trr
trn version: GMX_trn_file (single precision)
Reading frame 0 time 10000.000 # Atoms 135496
Reading frame 1400 time 12800.001
-------------------------------------------------------
Program gmxcheck, VERSION 4.0.5
Source code file: trnio.c, line: 66
File input/output error:
Can not determine precision of trn file
----------------------------------------------------------------------------------------------------------------------------
Is there any way to recover this .trr file? Or do I need to
re-run the simulation again?
Probably. Did the simulation end correctly? Did you run out of disk
space?
Mark
--
gmx-users mailing list [email protected]
<mailto:[email protected]>
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before
posting!
Please don't post (un)subscribe requests to the list. Use the www
interface or send it to [email protected]
<mailto:[email protected]>.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
