espressomd-users
[Top][All Lists]
Advanced

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: H5md nat available


From: Ahmad Reza Motezakker
Subject: Re: H5md nat available
Date: Sun, 8 Mar 2020 09:11:28 +0000

Dear Jean,

Thank you very much for your help.

Best Regards,

Sent from my iPhone

> On 6 Mar 2020, at 21:47, Jean-Noël Grad <address@hidden> wrote:
> 
> Dear Ahmad,
> 
> We've updated the user guide to make it clear how to enable feature H5MD 
> (commit bc6a7f2 in https://github.com/espressomd/espresso/pull/3567).
> 
> Best,
> JN
> 
>> On 3/6/20 11:19 AM, Jean-Noël Grad wrote:
>> Dear Ahmad,
>> You'll need to recompile espresso using the CMake flag -DWITH_HDF5=ON:
>> http://espressomd.org/html/doc/installation.html?highlight=with_hdf5#options-and-variables
>>  Best,
>> JN
>>> On 3/6/20 10:59 AM, Ahmad Reza Motezakker wrote:
>>> Dear All,
>>> 
>>> 
>>> I have been trying to save trajectories data with h5md, but I face this 
>>> error:
>>> 
>>> ---------
>>> 
>>> --------------------------------------------------------------------------- 
>>> RuntimeError                               Traceback (most recent call last)
>>> <ipython-input-11-23429f2149d1>  in<module>
>>> 1  #h5md file for trajectories
>>> ----> 2h5=  h5md.H5md(filename="trajectory.h5",  write_pos=True,  
>>> write_vel=True,  write_force=True)
>>> 
>>> ~/Desktop/espresso/build/src/python/espressomd/io/writer/h5md.py  
>>> in__init__(self, *args, **kwargs)
>>> 27 28          def  __init__(self,  *args,  **kwargs):
>>> ---> 29raise  RuntimeError("H5md not available.")
>>> 30  else:
>>> 31      class  H5md:
>>> 
>>> RuntimeError: H5md not available.
>>> 
>>> -------------
>>> I have installed hdf5 but it is still not working. I really appreciate that 
>>> if you could help me.
>>> 
>>> Best Regards,
>>> Ahmad Reza
>>> ​
>>> 
>>> 
>>> 
> 

reply via email to

[Prev in Thread] Current Thread [Next in Thread]