[QE-users] ENVIRON in QE

[Sayan Banerjee]

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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