Hey Christoph, I agree with you printing gromacs options and help may be very useful , but not for all the same iterations.
I guess, one way keep inverse.log file cleaner is to direct gromacs output to another file say gromacs.log. Also, to avoid rapid growth of gromacs.log, we can chose to print gromacs output only at certain iterations, say every ith iteration, and for all other iterations just use -quiet > dump 2>&1 option to run gromacs commands and direct its output to dump file, and in the end delete the dump file. what do you think? thanks sikandar On Thu, Oct 20, 2011 at 3:49 AM, Christoph Junghans <[email protected]>wrote: > hi, > > yes & no. > > On the one hand the default of all gromacs tools is to print their > help, whenever you call them, so one can see all the options/ input > files used. I think this is very useful. > On the other hand after 500 times the same iteration the log file is > flooded with always the same help message, which is useless. > > But, as it is possible to change some options in the mdp/xml file > after some iterations, one can never know if the gromacs output is > still useful. > > So, I don't see a clear solution here. One could send the output of > the gromacs tool to a different log file, but still that file would > grow rapidly. Possibly one could add markers like "#BEGIN/END GROMACS > OUTPUT" to the logfile and so that one can filter them later with sed > if required. > (sed '/#BEGIN GROMACS/,/#END GROMACS/d' ) > > Comment? Suggestions? > > Cheers, > > Christoph > > Am 19. Oktober 2011 05:04 schrieb Sikandar Mashayak <[email protected] > >: > > Hi > > > > I notice that when gromacs commands are executed using inverse script > with > > logging enabled, gromacs command output such as its help, available > options, > > run time etc. everything is written into the log file. Is there any way > that > > I could avoid it so that log file would look much more clean? > > > > thanks > > sikandar > > > > -- > > You received this message because you are subscribed to the Google Groups > > "votca" group. > > To post to this group, send email to [email protected]. > > To unsubscribe from this group, send email to > > [email protected]. > > For more options, visit this group at > > http://groups.google.com/group/votca?hl=en. > > > > > > -- > Christoph Junghans > Votca Core Developer > > Web: http://www.votca.org > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
