Re: [h5md-user] Fortran bindings for H5MD

[W. Miah]

Hi again Pierre,

sorry to bother you again, but I also came across H5Part
(http://vis.lbl.gov/Research/H5Part/) which is a file format for
particle physics which does support parallel I/O. If you are familiar
with H5Part, do you know if it can be used for molecular dynamics?

Regards,
Wadud.

On 10 August 2015 at 22:22, W. Miah <address@hidden> wrote:
> Hi Pierre,
>
> I'm not an expert in HDF5, but isn't the only difference between
> serial and parallel is in opening the HDF5 file? In the parallel
> version, you provide it the MPI communicator.
>
> Regards,
> Wadud.
>
> On 10 August 2015 at 21:56, Pierre de Buyl
> <address@hidden> wrote:
>> Hi,
>>
>> On Mon, Aug 10, 2015 at 04:25:40PM +0100, W. Miah wrote:
>>> Do you have a version that runs in parallel, namely MPI?
>>
>> The code is not working in parallel currently. The efforts required would be
>> moderate but I do not have the time to work on this currently. I am available
>> for advice if you wish though.
>>
>> Regards,
>>
>> Pierre
>>
>>
>>>
>>> Regards,
>>> Wadud
>>>
>>> --------------------
>>> Wadud Miah
>>> http://miahw.wordpress.com
>>> On 10 Aug 2015 16:23, "Pierre de Buyl" <address@hidden>
>>> wrote:
>>>
>>> > Dear Wadud,
>>> >
>>> > We have collected resources for H5MD software here:
>>> > http://nongnu.org/h5md/software.html
>>> >
>>> > I have written a fortran module that can be found here:
>>> > https://github.com/pdebuyl/fortran_h5md
>>> >
>>> > It works with serial HDF5 and is poorly documented, sadly. The simplest
>>> > method
>>> > to start using it is to look at the example directory.
>>> >
>>> > Regards,
>>> >
>>> > Pierre
>>> >
>>> > On Mon, Aug 10, 2015 at 11:41:10AM +0100, W. Miah wrote:
>>> > > Hello,
>>> > >
>>> > > Do you have Fortran bindings for H5MD? If so, where can I download it
>>> > from?
>>> > >
>>> > > Regards,
>>> > > Wadud
>>> >
>>> >
>>
>> --
>> -----------------------------------------------------------
>> Pierre de Buyl
>> KU Leuven - Institute for Theoretical Physics
>> T +32 16 3 27355
>> W http://pdebuyl.be/
>> -----------------------------------------------------------
>>
>
>
>
> --
> web: http://miahw.wordpress.com
> mobile: 07905 755604
> gnupg: 2E29 B22F



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