Re: [Open Babel] running Open Babel in parallel / distributed mode

2014-02-04 Thread Noel O'Boyle
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

Re: [Open Babel] running Open Babel in parallel / distributed mode

2014-02-04 Thread Francois Berenger
On 2/4/14, 6:28 PM, Noel O'Boyle wrote: 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. Let's say you have a file commmands.sh: --- obabel some_file1 -Osome_other_file1.other_format ... obabel some_file2

Re: [Open Babel] running Open Babel in parallel / distributed mode

2014-02-04 Thread Maciek Wójcikowski
Francois, could you please elaborate on the log argument? Because, that might be the only difference here. Using either gnu parallel or xargs standard output and error are FIFO, which makes them useless. Other than that I cant see any advantage, since parallel line would be: cat commands.sh |

Re: [Open Babel] running Open Babel in parallel / distributed mode

2014-02-04 Thread Francois Berenger
On 02/04/2014 08:09 PM, Maciek Wójcikowski wrote: Francois, could you please elaborate on the log argument? Because, that might be the only difference here. Using either gnu parallel or xargs standard output and error are FIFO, which makes them useless. Other than that I cant see any

Re: [Open Babel] running Open Babel in parallel / distributed mode

2014-02-03 Thread Igor Filippov
How is it different from GNU parallel? http://www.gnu.org/software/bash/manual/html_node/GNU-Parallel.html Igor On Mon, Feb 3, 2014 at 1:37 AM, Francois Berenger 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

Re: [Open Babel] running Open Babel in parallel / distributed mode

2014-02-03 Thread Francois Berenger
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