[gmx-developers] gromacs.org_gmx-developers Digest, Vol 153, Issue 15
Alfredo Metere
alfredometere2 at gmail.com
Fri Jan 27 00:00:05 CET 2017
I'm currently implementing a CUDA accelerated implementation of tabulated potentials for Verlet scheme in GROMACS. It should be released in gerrit quite soon. I'm testing it now.
Alfredo Metere
> On Jan 26, 2017, at 1:26 PM, gromacs.org_gmx-developers-request at maillist.sys.kth.se wrote:
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> Today's Topics:
>
> 1. Table potentials and verlet (Carlo Camilloni)
> 2. Re: Table potentials and verlet (Erik Lindahl)
> 3. Re: Table potentials and verlet (Berk Hess)
> 4. Re: Table potentials and verlet (Erik Lindahl)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Thu, 26 Jan 2017 21:14:47 +0100
> From: Carlo Camilloni <carlo.camilloni at gmail.com>
> To: gmx-developers at gromacs.org
> Subject: [gmx-developers] Table potentials and verlet
> Message-ID: <BBC1E43A-5C09-4C50-B72C-C8FDD683B8BA at gmail.com>
> Content-Type: text/plain; charset=us-ascii
>
> Dear Gromacs developers
>
> I was wondering if there are plans for the implementation of table potentials and verlet group in gromacs 2017. Is there already something in gerrit to test?
>
> Best
> Carlo
>
>
>
> ------------------------------
>
> Message: 2
> Date: Thu, 26 Jan 2017 22:11:03 +0100
> From: Erik Lindahl <erik.lindahl at gmail.com>
> To: "gmx-developers at gromacs.org" <gmx-developers at gromacs.org>
> Subject: Re: [gmx-developers] Table potentials and verlet
> Message-ID:
> <CAEJJM8GfQyNGr8tiET3mbgxnso43VBYFwGzCoaTmGx2NbM7N2Q at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> Short answer: yes.
>
> On Thu, Jan 26, 2017 at 9:14 PM, Carlo Camilloni <carlo.camilloni at gmail.com>
> wrote:
>
>> Dear Gromacs developers
>>
>> I was wondering if there are plans for the implementation of table
>> potentials and verlet group in gromacs 2017. Is there already something in
>> gerrit to test?
>>
>> Best
>> Carlo
>>
>> --
>> Gromacs Developers mailing list
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>
>
> --
> --
> Erik Lindahl <erik.lindahl at gmail.com>
> Professor of Biophysics, Dept. Biochemistry & Biophysics, Stockholm
> University
> Science for Life Laboratory, Box 1031, 17121 Solna, Sweden
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> Message: 3
> Date: Thu, 26 Jan 2017 22:16:00 +0100
> From: Berk Hess <hess at kth.se>
> To: gmx-developers at gromacs.org
> Subject: Re: [gmx-developers] Table potentials and verlet
> Message-ID: <3ee54921-401f-73c5-7a6c-ab0d63817eda at kth.se>
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> I think that should be: yes and no.
>
> Berk
>
>> On 26/01/17 22:11 , Erik Lindahl wrote:
>> Short answer: yes.
>>
>> On Thu, Jan 26, 2017 at 9:14 PM, Carlo Camilloni
>> <carlo.camilloni at gmail.com <mailto:carlo.camilloni at gmail.com>> wrote:
>>
>> Dear Gromacs developers
>>
>> I was wondering if there are plans for the implementation of table
>> potentials and verlet group in gromacs 2017. Is there already
>> something in gerrit to test?
>>
>> Best
>> Carlo
>>
>> --
>> Gromacs Developers mailing list
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>> --
>> --
>> Erik Lindahl <erik.lindahl at gmail.com <mailto:erik.lindahl at gmail.com>>
>> Professor of Biophysics, Dept. Biochemistry & Biophysics, Stockholm
>> University
>> Science for Life Laboratory, Box 1031, 17121 Solna, Sweden
>>
>>
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> Message: 4
> Date: Thu, 26 Jan 2017 22:26:39 +0100
> From: Erik Lindahl <erik.lindahl at gmail.com>
> To: "gmx-developers at gromacs.org" <gmx-developers at gromacs.org>
> Subject: Re: [gmx-developers] Table potentials and verlet
> Message-ID:
> <CAEJJM8Hz=L4Z2a36u5acr4nMKtnrS35NJOEBNh9rrTV+0Pnkdg at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
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> Oh, right - there was a second sentence too :-)
>
> Sorry, nothing to test yet, but possibly in a few weeks.
>
>> On Thu, Jan 26, 2017 at 10:16 PM, Berk Hess <hess at kth.se> wrote:
>>
>> I think that should be: yes and no.
>>
>> Berk
>>
>>
>> On 26/01/17 22:11 , Erik Lindahl wrote:
>>
>> Short answer: yes.
>>
>> On Thu, Jan 26, 2017 at 9:14 PM, Carlo Camilloni <
>> carlo.camilloni at gmail.com> wrote:
>>
>>> Dear Gromacs developers
>>>
>>> I was wondering if there are plans for the implementation of table
>>> potentials and verlet group in gromacs 2017. Is there already something in
>>> gerrit to test?
>>>
>>> Best
>>> Carlo
>>>
>>> --
>>> Gromacs Developers mailing list
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>>> * Please search the archive at
>>> <http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List>
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>>> posting!
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>>
>>
>>
>> --
>> --
>> Erik Lindahl <erik.lindahl at gmail.com>
>> Professor of Biophysics, Dept. Biochemistry & Biophysics, Stockholm
>> University
>> Science for Life Laboratory, Box 1031, 17121 Solna, Sweden
>>
>>
>>
>>
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>> Gromacs Developers mailing list
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>
>
>
> --
> --
> Erik Lindahl <erik.lindahl at gmail.com>
> Professor of Biophysics, Dept. Biochemistry & Biophysics, Stockholm
> University
> Science for Life Laboratory, Box 1031, 17121 Solna, Sweden
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