<html><body><div style="font-family: arial, helvetica, sans-serif; font-size: 12pt; color: #000000"><div>Dear Developers,<br></div><div><br data-mce-bogus="1"></div><div>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>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"></div><div>But it seems that there is some incompatibility when proceeding the installation procedure of Environ in TDDFPT part.</div><div>---------------------------------------------error----------------------------------------<br data-mce-bogus="1"></div><div>./install/addsonpatch.sh Environ Environ/src Modules -patch<br>The NAME of the addson is: Environ<br>LINKED_FILES are: Environ/src/*.f90<br>WHERE_LINKS are: Modules/<br>NAME ./install/addsonpatch.sh <br>* I will try to patch needed files for integrated compilation ...<br>-- Executing pre script<br>-- Setting up symlinks<br>-- modifying Modules//Makefile<br>-- Executing post script<br>- DONE!<br>$ ./Environ/patches/environpatch.sh -patch<br>-- Applying patches to pw<br>* I will try to patch PW/src with Environ version 1.0 ...<br>- DONE!<br>-- Applying patches to cp<br>* I will try to patch CPV/src with Environ version 1.0 ...<br>- DONE!<br>-- Applying patches to td<br><span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;">* I will try to patch TDDFPT/src with Environ version 1.0 ...</span><br><span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;">patching file lr_readin.f90</span><br><span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;">Hunk #1 succeeded at 58 (offset -1 lines).</span><br><span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;">Hunk #2 FAILED at 81.</span><br><span style="background-color: rgb(255, 255, 0);" data-mce-style="background-color: #ffff00;">1 out of 3 hunks FAILED -- saving rejects to file lr_readin.f90.rej</span><br>- DONE!<br data-mce-bogus="1"></div><div>------------------------------------------------------------------------------------------------------------------<br></div><div>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"></div><div>(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><div><br data-mce-bogus="1"></div><div>Can anyone please help me ?<br data-mce-bogus="1"></div><div><br data-mce-bogus="1"></div><div>Best Regards,</div><div>Javad<br data-mce-bogus="1"></div><div data-marker="__SIG_POST__">-- <br></div><div>Seyed Javad Azimi<br>PhD student | Physics Department<br>K. N. Toosi University of Technology, Tehran, Iran.<br>Università di Modena e Reggio Emilia, Modena, Italia.</div></div><br />--
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