[Tutor] Two Scripts, Same Commands, One Works, One Doesn't

[DL Neil]

Stephen,


On 16/05/19 12:16 AM, Stephen P. Molnar wrote:
> I am writing scripts to semi-automate some of my Quantum Chemistry 
> software and have encountered a problem that has me baffled. The two 
> scripts have the same form, the only difference being the commands. One 
> script works, the other bombs.


Blast from the past! I thought I'd finished with nerve agents, 
receptors, and ligands back in 1990-1. The memories have not improved 
with age!


Taking the first question, ie 'two scripts which appear identical but 
are not':-

Nothing 'popped' during a quick visual scan.

Linux (which it is assumed you are using) has two basic built-in 
commands/pgms: diff and cmp (difference and compare). For occasions when 
I want to compare directories first, and probably contained-files 
thereafter, I use "Meld".


As to the second: +1 to removing the extra moving-parts, like Spyder, 
and running directly from the cmdLN (simplify, simplify).


Even though accuracy and precision are important, this is the Tutor 
list, so don't worry too much about the terminology. Most of us, young 
or old will have recognised what you meant. Whilst I can't recall the 
last time I used the term "bomb", I'm guessing that "abend" wouldn't 
pass muster either...


-- 
Regards =dn