[QE-users] ENVIRON in QE

[Sayan Banerjee]

Hi Francesco,

Thanks for your reply! I'm using cray-hdf5-parallel for compiling the qe
and the version is 4.4 for GNU sed. I tried it with 4.7 for GNU sed but the
same error occured. It was not taking the updated version.

Regards,
Sayan

On Thu, Aug 15, 2019 at 11:01 PM Arvin Kakekhani <arvink at sas.upenn.edu>
wrote:

>
> ---------- Forwarded message ---------
> From: Francesco Nattino <francesco.nattino at epfl.ch>
> Date: Thu, Aug 15, 2019, 10:31 AM
> Subject: Re: [QE-users] ENVIRON in QE
> To: <users at lists.quantum-espresso.org>
>
>
> Dear Sayan,
>
>  The procedure that you are following looks good, just remember to run
> ./install/makedeps.sh after step 2 below. Anyway, the error that you get
> can be linked to the failure of the step 1, and it seems related to your
> sed installation. In which environment are you trying to compile QE?
>
> Best,
>
> Francesco Nattino,
>
> EPFL
> On 8/15/19 04:19, Sayan Banerjee wrote:
>
>
> Dear users and developers of QE,
>
> Hi,
>
> I have been trying to add ENVIRON extension with the compiled 6.2.1. I'm
> following the same protocol given the ENVIRON documentation.
>
> 1. after
> ./install/addsonpatch.sh Environ Environ/src Modules -patch
>
> I'm getting
>
> * I will try to patch needed files for integrated compilation ... --
> Executing pre script sed does not work! Error message: **********
> ********** Please install a recent version of the GNU sed utility and try
> again.
>
> I have updated the sed, but I got the same thing.
>
> 2 after ./Environ/patches/environpatch.sh -patch.
> -- Applying patches to pw * I will try to patch PW/src with Environ
> version 1.1 ... sed: can't read plugin_check.f90: No such file or directory
> - DONE! -- Applying patches to cp * I will try to patch CPV/src with
> Environ version 1.1 ... - DONE! -- Applying patches to td * I will try to
> patch TDDFPT/src with Environ version 1.1 ... - DONE!
>
> 3. After recompiling I'm getting-
>
> plugin_print_energies.f90(25): error #7002: Error in opening the compiled
> module file. Check INCLUDE paths. [ENVIRON_OUTPUT] USE environ_output, ONLY
> : environ_print_energies, & -------^ plugin_print_energies.f90(38): error
> #6406: Conflicting attributes or multiple declaration of name.
> [ENVIRON_PRINT_ENERGIES] CALL environ_print_energies() ----------^
> plugin_print_energies.f90(40): error #6406: Conflicting attributes or
> multiple declaration of name. [ENVIRON_PRINT_POTENTIAL_WARNING] CALL
> environ_print_potential_warning() ------------^
> plugin_print_energies.f90(25): error #6580: Name in only-list does not
> exist or is not accessible. [ENVIRON_PRINT_ENERGIES] USE environ_output,
> ONLY : environ_print_energies, & ------------------------------^
> plugin_print_energies.f90(26): error #6580: Name in only-list does not
> exist or is not accessible. [ENVIRON_PRINT_POTENTIAL_WARNING]
> environ_print_potential_warning ------------------------------^ compilation
> aborted for plugin_print_energies.f90 (code 1)
> make[2]: *** [../../make.inc:17: plugin_print_energies.o] Error 1 make[2]:
> Leaving directory './PW/src' make[1]: *** [Makefile:9: pw] Error 1 make[1]:
> Leaving directory '/PW' make: *** [Makefile:69: pw] Error 1
>
> Please let me know how to install it properly.
>
> Thanks & Regards,
> Sayan
>
> --
> *Sayan Banerjee*
> Graduate Student
> Department of Chemistry *|* University of Pennsylvania,
> Philadelphia, PA 19104-6323
>
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-- 
*Sayan Banerjee*
Graduate Student
Department of Chemistry *|* University of Pennsylvania,
Philadelphia, PA 19104-6323
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