Dear Mark,Victor,Szilard
So many thanks for your helpful comments!
Cheers
On Tue, Feb 24, 2015 at 11:10 PM, mah maz wrote:
> Hi Justin,
> Thank you for your answer! If you may help with any of these questions I
> would be greatly grateful;
> How can I understand if they were interfered? How is
On Tue, Feb 24, 2015 at 10:54 PM, Victor Rosas Garcia
wrote:
> Perhaps I can be of help here.
>
> Except for the smallest systems, GROMACS simulations are very
> compute-intensive, so a single machine is needed for a single job. In
> many instances, several machines are required for a single job
>
mdrun -multi works too if the runs are identical.
Or write your own bash wrapper that calculates thread counts and
applies pin offsets manually (see the link Mark posted for pinning
info).
--
Szilárd
On Tue, Feb 24, 2015 at 8:40 PM, mah maz wrote:
> Hi Justin,
> Thank you for your answer! If yo
Perhaps I can be of help here.
Except for the smallest systems, GROMACS simulations are very
compute-intensive, so a single machine is needed for a single job. In
many instances, several machines are required for a single job
(provided you have a fast enough network).
If you give a single machine
Hi,
The "interference" is just that the runs will be ridiculously slow. You
want either to arrange life to run one simulation at a time, or manually
allocate cores to separate simulations, e.g. as described at
http://www.gromacs.org/Documentation/Acceleration_and_parallelization#Pinning_threads_to
Hi Justin,
Thank you for your answer! If you may help with any of these questions I
would be greatly grateful;
How can I understand if they were interfered? How is pinning? Any other
ways you can recommend?
Thanks a lot
On Tue, Feb 24, 2015 at 10:14 PM, mah maz wrote:
> Is running simulations i
On 2/24/15 1:44 PM, mah maz wrote:
Is running simulations in several terminals problematic?
Usually. Unless you keep them from interfering with each other with pinning,
the performance will degrade badly. Though if you're doing multiple runs on a
normal desktop, performance isn't going t
Is running simulations in several terminals problematic?
On Tue, Feb 24, 2015 at 8:42 PM, mah maz wrote:
> Dear all,
>
> How can I perform several simulations simultaneously (in linux)?
>
> thank you!
>
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Suppor
Dear all,
How can I perform several simulations simultaneously (in linux)?
thank you!
--
Gromacs Users mailing list
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
* For
