[QE-users] ENVIRON in QE

[Francesco Nattino]

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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