[Openmd-users] Mailing lists doesn't work

Martin Vala mvala at saske.sk
Mon Sep 8 03:36:01 EDT 2014


Hi Dan,

On 07/09/2014 00:03, Dan Gezelter wrote:
> Martin,
>
>    Good to hear from you.  I think I've finally fixed the mailing list, so email and subscription requests should be working.
>
> A couple of answers:
>
> 1. Yes, we are moving OpenMD to github quite soon.  There are some issues with github interpreting the default OpenMD file extension (.md) as markdown files, making the source browsing a bit of a problem.  The migration to github is one of my fall projects.

OK. Let me know when it will be there, please
>
> 2. The error you are getting from the LHull integrator is probably because your copy of OpenMD was built without the Qhull library.  The Langevin Hull (LHull) integrator needs this library, but other integrators do not, so if you are going to be using periodic boundaries, you won't need this particular library.  You can get the library here:
>
> http://www.qhull.org/
>
> If you built the prerequisites including qhull, then CMake should automatically find it.  If it didn't, you might need to give CMake some hints about where to find the include and library directories.
Yes it didn't detect it. I will fix it and sent you patch

> 3.  We're always interested in getting bug reports (and patches are even better).  I'll keep you posted on our progress as we move to github.
Super
>
> 4)  Great news on making RPM packages.  That would be great!  Our main development environments are Macs and Ubuntu linux boxes, so we don't have much expertise in RPM packaging.  I do notice that you are getting build fails on epel-6-x86_64.  Can you let me know what is failing?  (A dependency would be my guess...)
This is just cmake dependency el6 doesn't have 2.8 i will build cmake in 
this repo and openmd should build ok.
> Again, thanks for contacting us, and I'm sending this out to the openmd-users list for other people to see.
>
> Best regards,
>
>   --Dan

Ciao

Martin

>
> On Sep 6, 2014, at 5:19 AM, Martin Vala <mvala at saske.sk> wrote:
>
>> Hi Dan,
>>
>> No problem. Let me know when it will be fixed.
>>
>> My name is Martin Vala and i work for Slovak Academy of science. I was working for ALICE experiment at CERN so i have some expirience with data analysis and simulations of particle physics. Now i started work for Nano fluid simulations and so. And i found that openmd is perfect candidate for our problem. One of the reason is that it is opensource and not blackbox like other software around in this field. So i am starting to work with openmd and i like it very much, Nice job guys. I also want to contribute to the project. I have few questions i would like to ask.
>>
>> 1. Is there any plan to move it to git (github)? From my personal opinion i would increase number of contributors to the project.
>> 2. I am running gold example from http://openmd.org/?p=277&cpage=1#comment-163954
>>
>> and i am getting error
>>
>> OpenMD FATAL ERROR:
>>         Integrator Factory can not create LHull Integrator
>>
>> What can i do to fix it?
>>
>> 3. I also notices some Segmentation fault (in destructor) I will debug it and send you patch. Here i think it would be easier if openmd would be at github. I would for the project and i would do pull request and you could merge it.
>>
>> 4. I created SPEC file to create openmd rpm. Currently i have repository for el7 and fedora20. el6 didn't compile because it didn;t have correct cmake version. i will fix it soon.
>> Repository is at
>>
>> https://copr.fedoraproject.org/coprs/mvala/saske/
>>
>> I am looking forward to work with you.
>>
>> Ciao
>>
>> Martin
>>
>> On 05/09/2014 15:27, Dan Gezelter wrote:
>>> Martin,
>>>
>>> My apologies for the non-working mailing list.  I'll try to see what's wrong with it today.
>>>
>>> What bugs and/or requests do you have to report?
>>>
>>> Best regards,
>>>
>>>   --Dan Gezelter
>>>
>>> On Sep 5, 2014, at 8:08 AM, Martin Vala <mvala at saske.sk> wrote:
>>>
>>>> Dear openmd support,
>>>>
>>>> I tried to report bug at your mailing list, but i get "Undelivered Mail Returned to Sender"
>>>>
>>>> Where can i submit bugs, requests?
>>>>
>>>> Ciao
>>>>
>>>> Martin
>>> ***********************************************
>>>    J. Daniel Gezelter
>>>    Associate Professor of Chemistry
>>>    Department of Chemistry and Biochemistry
>>>    251 Nieuwland Science Hall
>>>    University of Notre Dame
>>>    Notre Dame, IN 46556-5670
>>>
>>>    phone:  +1 (574) 631-7595
>>>    fax:    +1 (574) 631-6652
>>>    e-mail: gezelter at nd.edu
>>>    web:    http://www.nd.edu/~gezelter
>>> ************************************************
>>>
>>>
>>>
> ***********************************************
>    J. Daniel Gezelter
>    Associate Professor of Chemistry
>    Department of Chemistry and Biochemistry
>    251 Nieuwland Science Hall
>    University of Notre Dame
>    Notre Dame, IN 46556-5670
>
>    phone:  +1 (574) 631-7595
>    fax:    +1 (574) 631-6652
>    e-mail: gezelter at nd.edu
>    web:    http://www.nd.edu/~gezelter
> ************************************************
>
>
>



More information about the Openmd-users mailing list