Re: [AMBER-Developers] New features in pmemd

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 18 Feb 2014 08:32:15 -0800

>On Mon, Feb 17, 2014 at 10:36:27PM -0800, Ross Walker wrote:
>>
>> for example in PMEMD right now that would be me,
>> Scott Le Grand, Perri Needham, Joe Kaus, Adrian Roitberg and Jason
>>Swails
>> - We all talk on an almost daily basis on skype and coordinate
>>everything.
>> Where was the coordination from the others - who just dump stuff in? Why
>> was the addition of the code not discussed with us several months
>> beforehand?
>
>Communication is a two way street:
>Why didn't you send a notice to this list with your plans
>and request like from others targeting that code ?

Honestly, I get way too many emails as it is. Email is horrendously
inefficient and I have to write reports up the wazzu, I don't need to be
writing more. Those of use I mentioned who actively work on pmemd talk and
chat literally everyday over skype. This is substantially more efficient
than going back and forth with email and allows people to coordinate
things at a very fine grained level. This is the only way it can work with
us all scattered around the world. If you'd like to help in that way
please send me a private email and I'll provide all the skype contacts.
Consider it like working as part of a single tight nit research group -
that's essentially what we have and is really what is needed for it to
work.

>Why wasn't community wide coordination worked out at the developers
>meeting ?

The developers meeting was WAY too late. We've been doing this for the
last 4 years.

>I'm just playing devil's advocate here, but we have been
>down this path recently:
>http://dev-archive.ambermd.org/201401/0015.html
>And the path has been well traveled for at least a decade.

That came up because unfortunately Romelia had to move to another job at a
critical time and then got so swamped by her new boss that she couldn't
keep up the communication and work - this was unexpected since we both
fully expected her to be able to carry on in some capacity - unfortunately
she couldn't and we lack the manpower to just replace someone on short
notice so that's why it ended up confused like that. I should add that
Romelia was in daily contact with the rest of us so again the problem came
by having multiple people in a vacuum working on the same stuff. It does
not work and is ultimately, in my opinion, a major flaw of the 'academic
way' - but that's a whole other discussion for over lots of beer.

All the best
Ross

/\
\/
|\oss Walker

---------------------------------------------------------
| Associate Research Professor |
| San Diego Supercomputer Center |
| Adjunct Associate Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
---------------------------------------------------------

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Received on Tue Feb 18 2014 - 09:00:04 PST
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