It would be nice to see some explicit examples of how Open Babel might be used in this way, using one or all of these tools.
- Noel On 4 February 2014 00:52, Francois Berenger <beren...@riken.jp> wrote: > On 02/04/2014 12:14 AM, Maciek Wójcikowski wrote: >> You can also use xargs. > > Yes, xargs with the -P option, but the command lines are not trivial then. > >> ---- >> Pozdrawiam, | Best regards, >> Maciek Wójcikowski >> mac...@wojcikowski.pl <mailto:mac...@wojcikowski.pl> >> >> >> 2014-02-03 16:10 GMT+01:00 Igor Filippov <igor.v.filip...@gmail.com >> <mailto:igor.v.filip...@gmail.com>>: >> >> How is it different from GNU parallel? >> http://www.gnu.org/software/bash/manual/html_node/GNU-Parallel.html > > It should be quite similar in functionality. > >> Igor >> >> >> On Mon, Feb 3, 2014 at 1:37 AM, Francois Berenger <beren...@riken.jp >> <mailto:beren...@riken.jp>> wrote: >> >> Hello, >> >> I do this almost everyday so I think I should share it with this >> list. >> >> In case you need to execute many Open Babel commands >> and don't want to wait, you can execute them in parallel >> on a multi-core computer. >> Of course, the commands should be independent, for example >> processing different datasets. >> >> Let's say the commands are in a file called for_par.sh. >> I developped a tool called PAR years ago that can do this: >> >> par -i for_par.sh -v -o log >> >> It will use all cores of the computer, display a completion >> percentage and store all output messages in the file log. >> >> If your user can connect to several computers e.g. via >> SSH then you can even run commands in a distributed manner. >> I use it daily on Linux but know some people used it on Mac OS X >> as well. >> >> The project is there: >> >> https://savannah.nongnu.org/projects/par >> >> The paper is freely available there: >> >> http://bioinformatics.oxfordjournals.org/content/26/22/2918.long >> >> -- >> Best regards, >> Francois Berenger. >> >> >> ------------------------------------------------------------------------------ >> Managing the Performance of Cloud-Based Applications >> Take advantage of what the Cloud has to offer - Avoid Common >> Pitfalls. >> Read the Whitepaper. >> >> http://pubads.g.doubleclick.net/gampad/clk?id=121051231&iu=/4140/ostg.clktrk >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> <mailto:OpenBabel-discuss@lists.sourceforge.net> >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> >> >> >> >> ------------------------------------------------------------------------------ >> Managing the Performance of Cloud-Based Applications >> Take advantage of what the Cloud has to offer - Avoid Common Pitfalls. >> Read the Whitepaper. >> >> http://pubads.g.doubleclick.net/gampad/clk?id=121051231&iu=/4140/ostg.clktrk >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> <mailto:OpenBabel-discuss@lists.sourceforge.net> >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> >> > > > -- > Best regards, > Francois Berenger. > > ------------------------------------------------------------------------------ > Managing the Performance of Cloud-Based Applications > Take advantage of what the Cloud has to offer - Avoid Common Pitfalls. > Read the Whitepaper. > http://pubads.g.doubleclick.net/gampad/clk?id=121051231&iu=/4140/ostg.clktrk > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Managing the Performance of Cloud-Based Applications Take advantage of what the Cloud has to offer - Avoid Common Pitfalls. Read the Whitepaper. http://pubads.g.doubleclick.net/gampad/clk?id=121051231&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
