ops sorry Sent from Mail for Windows 10
From: Paolo Giannozzi Sent: Thursday, December 17, 2020 8:45 AM To: Quantum ESPRESSO users Forum Subject: Re: [QE-users] Error in VCA with QE v6.6 (virtual_v2.x) It should have been fixed in 6.7, but it wasn't :-( https://gitlab.com/QEF/q-e/-/merge_requests/1243/diffs?commit_id=47953f0be5c98d0706e152694d1435579d86a7fd Paolo On Thu, Dec 17, 2020 at 8:20 AM Pietro Delugas <[email protected]> wrote: Hi this should be a bug in version 6.6., fixed in 6.7 https://github.com/QEF/q-e/releases/download/qe-6.7.0/qe-6.7-ReleasePack.tgz regards Pietro Sent from Mail for Windows 10 From: Soumyadeep Sent: Thursday, December 17, 2020 4:48 AM To: Users Subject: [QE-users] Error in VCA with QE v6.6 (virtual_v2.x) Dear All, I am getting an error when performing VCA using virtual_v2.x for QE v6.6 (~qe-6.6/upflib/virtual_v2.x). The error message is, Fortran runtime error: Attempting to allocate already allocated variable 'upf_vca' But VCA works successfully when using virtual_v2.x for QE v6.5 (~qe-6.5/upftools/virtual_v2.x). Both the output files are attached for your reference. Kindly suggest the solution. with many thanks and best regards Soumyadeep ------------------------------------------------------------------- Soumyadeep Ghosh, Senior Research Fellow, Homi Bhabha National Institute (HBNI), Raja Ramanna Centre for Advanced Technology, Indore, India-452013 Mob: (+91)9424664553 User Lab: 0731244-2580 Email: [email protected], [email protected] ------------------------------------------------------------------- _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
