Hi all,
Does anyone know where I can find the programmer's guide for the gromacs-5.0?
xiexiao...@sjtu.edu.cn
--
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.g
Does anyone know that what the pme ranks mean?
xiexiao...@sjtu.edu.cn
--
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 (un)subs
What does the force in log file mean?Does it include bonded force and
non-bonded force?
xiexiao...@sjtu.edu.cn
--
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.gromac
What does the force in log file mean?Does it include bonded force and
non-bonded force?
xiexiao...@sjtu.edu.cn
--
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.gromac
Thanks.Do you know how to calculate the time consuming of non-bonded force that
run on gpu?
xiexiao...@sjtu.edu.cn
From: Mark Abraham
Date: 2014-09-19 18:37
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] force
Hi,
To which part of the log file do you refer? The "Force&
Does anyone know that how to use NVIDIA Visual Profiler to profile gromacs-5.0?
xiexiao...@sjtu.edu.cn
--
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/Su
7;t appear such information.Does
anyone know why?
I also find that the time consuming of Nonbonded F kernel is 77.657s but the
time consuming of force is only 55.263s.Does the force item include non-bonded
force?If it was true,why the Nonbonded F kernel takes more time than the force
?
xiexiao...@sjtu.edu
7;t appear such information.Does
anyone know why?
I also find that the time consuming of Nonbonded F kernel is 77.657s but the
time consuming of force is only 55.263s.Does the force item include non-bonded
force?If it was true,why the Nonbonded F kernel takes more time than the force
?
xiexiao...@sjtu.edu
I think that the items (wait GPU nonlocal) and (wait GPU local) in log file are
the time consuming that cpu wait for gpu. And Does anyone know that which item
is the time consuming that gpu wait for cpu in log file?
xiexiao...@sjtu.edu.cn
--
Gromacs Users mailing list
* Please search the
e time than the force ?
xiexiao...@sjtu.edu.cn
From: Szilárd Páll
Date: 2014-09-24 17:45
To: Discussion list for GROMACS users
CC: gromacs.org_gmx-users
Subject: Re: [gmx-users] which item is gpu wait for cpu?
On Wed, Sep 24, 2014 at 4:57 AM, xiexiao...@sjtu.edu.cn
wrote:
> I think that t
10 matches
Mail list logo