Trailing 'i' in run.py breaks execution of grlsd workflow

[Iain Bethune]

The run.py file used has a typo that causes a runtime failure when python tries to run the script:

2016-02-26 11:48:05,946: radical.enmd.simulation_analysis_loop.static.default: MainProcess                     : Thread-4       : ERROR   : ComputeUnit error: STDERR:   File "run.py", line 84
    write_script(args.grofile_name,args.output_grofile_name,grompp_opts,ndxfile_opts,args.mdpfile_name,args.topfile_name,tprfile_name,size,mdrun_opts,trrfile_name,edrfile_name)i
                                                                                                                                                                                ^
SyntaxError: invalid syntax

[Vivek Balasubramanian]

this should be fixed now. Sorry about that !

[Iain Bethune]

Tarballs also need updated...

[Iain Bethune]

Thanks for updating the tarballs, but there is another error related to bad indentation:

2016-03-01 15:43:27,473: radical.enmd.simulation_analysis_loop.static.default: MainProcess                     : Thread-4       : ERROR   : ComputeUnit error: STDERR:   File "run.py", line 91
    f1 = open(args.grofile_name,'r')
                                   ^
IndentationError: unindent does not match any outer indentation level
, STDOUT:   File "run.py", line 91
    f1 = open(args.grofile_name,'r')
                                   ^
IndentationError: unindent does not match any outer indentation level

[Iain Bethune]

Thanks, it's working now.