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Dear Javad,
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<div class="">Thank you for your email, sorry for the late answer but I am at a Quantum ESPRESSO school this week and I did not have enough time to reply. I am afraid that the current release of Environ v 1.0 has some (minor) incompatibilities with QE-6.2.2.
I am aware of these issues, in particular the ones that you see with the TDDFP patching, I will update the release with a new version compatible with QE-6.2.2 as soon as possible, but it is probably going to be in a couple of days. Thank you for reporting
this issue to the forum, if you encounter any other problem with Environ + QE, please let me know.</div>
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<div class="">Best,</div>
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<div class="">Oliviero Andreussi</div>
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Assistant Professor<br class="">
Department of Physics<br class="">
University of North Texas<br class="">
<a href="mailto:oliviero.andreussi@unt.edu" class="">Email: oliviero.andreussi@unt.edu</a> <br class="">
Skype: olivieroandreussi<br class="">
Web: <a href="https://sites.google.com/site/olivieroandreussi" class="">https://sites.google.com/site/olivieroandreussi</a></div>
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<div class="">On May 22, 2018, at 4:41 AM, Seyed Javad Azimi <<a href="mailto:j.azimi@email.kntu.ac.ir" class="">j.azimi@email.kntu.ac.ir</a>> wrote:</div>
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<div class="">Dear Developers,<br class="">
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<div class="">I want to do Neb with dft-d3 which has some problems in stable 6.2.1 version and has recently been corrected in dev version of qe.</div>
<div class="">Then, I have tried to recompile the under development version of qe (6.2.2) with Environ 1.0 to include the solvation model.<br data-mce-bogus="1" class="">
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<div class="">But it seems that there is some incompatibility when proceeding the installation procedure of Environ in TDDFPT part.</div>
<div class="">---------------------------------------------error----------------------------------------<br data-mce-bogus="1" class="">
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<div class="">./install/addsonpatch.sh Environ Environ/src Modules -patch<br class="">
The NAME of the addson is: Environ<br class="">
LINKED_FILES are: Environ/src/*.f90<br class="">
WHERE_LINKS are: Modules/<br class="">
NAME ./install/addsonpatch.sh <br class="">
* I will try to patch needed files for integrated compilation ...<br class="">
-- Executing pre script<br class="">
-- Setting up symlinks<br class="">
-- modifying Modules//Makefile<br class="">
-- Executing post script<br class="">
- DONE!<br class="">
$ ./Environ/patches/environpatch.sh -patch<br class="">
-- Applying patches to pw<br class="">
* I will try to patch PW/src with Environ version 1.0 ...<br class="">
- DONE!<br class="">
-- Applying patches to cp<br class="">
* I will try to patch CPV/src with Environ version 1.0 ...<br class="">
- DONE!<br class="">
-- Applying patches to td<br class="">
<span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;" class="">* I will try to patch TDDFPT/src with Environ version 1.0 ...</span><br class="">
<span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;" class="">patching file lr_readin.f90</span><br class="">
<span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;" class="">Hunk #1 succeeded at 58 (offset -1 lines).</span><br class="">
<span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;" class="">Hunk #2 FAILED at 81.</span><br class="">
<span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;" class="">1 out of 3 hunks FAILED -- saving rejects to file lr_readin.f90.rej</span><br class="">
- DONE!<br data-mce-bogus="1" class="">
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<div class="">Also when I continued the installation process to recompile pw ( I do not need tddfpt now) several errors occurs in compiling the codes. (relating to pw/src , dft-d3 and Environ itself)<br data-mce-bogus="1" class="">
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<div class="">(initially I tried to apply the corrections of dev version for neb+d3 to the stable 6.2.1 but it seams that the corrections are depends on other modifications and the 6.2.1 version with correction applied to dev version, comes to errors in compilation
so I had to use the dev version.)</div>
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<div class="">Can anyone please help me ?<br data-mce-bogus="1" class="">
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<div class="">Best Regards,</div>
<div class="">Javad<br data-mce-bogus="1" class="">
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<div class="">Seyed Javad Azimi<br class="">
PhD student | Physics Department<br class="">
K. N. Toosi University of Technology, Tehran, Iran.<br class="">
Università di Modena e Reggio Emilia, Modena, Italia.</div>
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