Re: colvars PMF history problem

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Mar 07 2011 - 10:03:24 CST

On Mon, Mar 7, 2011 at 10:43 AM, Ajasja Ljubetič
<ajasja.ljubetic_at_gmail.com> wrote:
>
>
>> i would not expect a
>> windows version of a simulation software that is mostly
>> used on unix-like machines to be as thoroughly tested.
>>
>
> Well, luckily, at least I'm testing it now, right?
> But since I an not restarting the simulation the file should not be renamed
> (or appended to) in the first place. The expected behavior would be that
> multiple run command inside the same configuration file just write to the
> same files.

that depends on how that is implemented.

> I would really like to see NAMD and VMD work well on windows, even though
> some people here might think it a waste of time.

you just volunteered yourself to take care of that. the problem is that
it is _so_ much additional work to make a code compatible with windows,
particularly if you do not routinely run on or even use windows.
unix-like machines are _so_ much more developer friendly.

for example, i am providing windows binaries for the LAMMPS variant
that i am maintaining, but i only do that because i am using a linux
to windows cross compiler and outside of issues that the compiler
detects, i don't do any checks. most of what i know about windows
"gotchas" is due to hacking VMD and getting a reminder
for any piece of code that wasn't compatible windows (often in
violation of c/c++ standards).

while i personally feel that i can be infinitely more productive on
a linux machine, i respect your choice to go a different way.
but for any (even partially) community supported software, that
also means that people like you will have to contribute some
effort to make your choice work well.

cheers,
    axel.

> regards,
> Ajasja

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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