On Wed, Jan 29, 2014 at 4:46 AM, Trayder Thomas
wrote:
> Curses! Kinda seemed intuitive that way. I assume the philosophy being
> worked towards is that every unique run should have a unique .tpr file that
> it is reproducible from?
>
> Curiously, I ran and checked a first batch on a different clu
On Jan 29, 2014 4:59 AM, "Trayder Thomas" wrote:
>
> Curses! Kinda seemed intuitive that way. I assume the philosophy being
> worked towards is that every unique run should have a unique .tpr file
that
> it is reproducible from?
It has that effect, which is very useful for debugging. I think of t
Curses! Kinda seemed intuitive that way. I assume the philosophy being
worked towards is that every unique run should have a unique .tpr file that
it is reproducible from?
Curiously, I ran and checked a first batch on a different cluster and the
simulations rapidly diverged (even between simulatio
Indeed. grompp does report the seed it uses to stderr.
Mark
On Tue, Jan 28, 2014 at 8:51 AM, David van der Spoel
wrote:
> On 2014-01-28 08:37, Trayder Thomas wrote:
>
>> Hi,
>> When using 'gen-seed = -1' at what point is the random seed assigned?
>>
>> e.g. Does it use the process ID of grompp
On 2014-01-28 08:37, Trayder Thomas wrote:
Hi,
When using 'gen-seed = -1' at what point is the random seed assigned?
e.g. Does it use the process ID of grompp and embed the seed number in the
tpr file, or does it use the process ID of mdrun?
I ask because I have 50 identical simulations started
Hi,
When using 'gen-seed = -1' at what point is the random seed assigned?
e.g. Does it use the process ID of grompp and embed the seed number in the
tpr file, or does it use the process ID of mdrun?
I ask because I have 50 identical simulations started from the same tpr
file :(
Thanks,
-Trayder
