[QE-users] QE-6.5 with hdf5 library

[rekha sharma]

Dear Sir
I have recompiled the hdf5 with --enable-fortran
the bin dir is having h5cc and when I execute"h5cc -show myprog.c", it
prints

mpiicc myprog.c -L/home/rekha/soft/hdf5/lib
/home/rekha/soft/hdf5/lib/libhdf5_hl.a /home/rekha/soft/hdf5/lib/libhdf5.a
-lz -ldl -lm -Wl,-rpath -Wl,/home/rekha/soft/hdf5/lib

but still I do not see any hdf5 flag in my quantum espresso make.sys file.

Can I update make.sys manually? but then how do I know that QE would be
compiled with hdf5?

Thank you very much
Rekha


On Thu, Nov 19, 2020 at 3:36 AM rekha sharma <rekha1997jpr at gmail.com> wrote:

> Dear Sir
> I do not see any  -D__HDF5 in my make.inc
> Yes, I have the directory
> /home/rekha/soft/hdf5/bin
> and in the bin dir I have
> gif2h5  h52gif  h5cc  h5clear  h5copy  h5debug  h5diff  h5dump
>  h5format_convert  h5import  h5jam  h5ls  h5mkgrp  h5perf_serial
>  h5redeploy  h5repack  h5repart  h5stat  h5unjam  h5watch
> I have defined the path of hdf5 in bashrc
> export PATH=/home/rekha/soft/hdf5/bin:$PATH
>
> h5fc –show   is not working.
>
> What should I do?
>
>
>
> On Wed, Nov 18, 2020 at 11:01 PM rekha sharma <rekha1997jpr at gmail.com>
> wrote:
>
>> Dear Sir
>> Thank you very much.
>> Still  I do not see any changes in my make.inc file.
>>
>> I see  below only
>> DFLAGS         =  -D__DFTI -D__MPI
>> How can I know that the QE has been compiled with hdf5 or not?
>> Thank you
>>
>> On Wed, Nov 18, 2020 at 10:12 PM rekha sharma <rekha1997jpr at gmail.com>
>> wrote:
>>
>>> Dear Expert Quantum Espresso Users
>>> I wanted to compile QE version 6.5 with hdf5  but I do not see any hdf
>>> option make.inc after ./configure option with below options
>>> --with-hdf5-libs=-L/home/rekha/soft/hdf5/lib
>>> --with-hdf5-include=/home/rekha/soft/hdf5/include
>>>
>>> Can you please tell me how to install qe-6.5 with hdf5?
>>>
>>> Thank you very much
>>>
>>> --
>>>
>>>
>>>
>>>
>>> Best wishes
>>>
>>> Ms. Rekha
>>> Teaching Assistant,
>>> Department of Physics
>>> RK college, Jaipur, India
>>> Mob.: +11 91-95 790 71 697
>>> Email: rekha1997jpr at gmail.com
>>>
>>
>>
>> --
>>
>>
>>
>>
>> Best wishes
>>
>> Ms. Rekha
>> Teaching Assistant,
>> Department of Physics
>> RK college, Jaipur, India
>> Mob.: +11 91-95 790 71 697
>> Email: rekha1997jpr at gmail.com
>>
>
>
> --
>
>
>
>
> Best wishes
>
> Ms. Rekha
> Teaching Assistant,
> Department of Physics
> RK college, Jaipur, India
> Mob.: +11 91-95 790 71 697
> Email: rekha1997jpr at gmail.com
>


-- 




Best wishes

Ms. Rekha
Teaching Assistant,
Department of Physics
RK college, Jaipur, India
Mob.: +11 91-95 790 71 697
Email: rekha1997jpr at gmail.com
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