[QE-users] Error in VCA with QE v6.6 (virtual_v2.x)

[Paolo Giannozzi]

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 <pdelugas at sissa.it> 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 <https://go.microsoft.com/fwlink/?LinkId=550986> for
> Windows 10
>
>
>
> *From: *Soumyadeep <soumyadeep at rrcat.gov.in>
> *Sent: *Thursday, December 17, 2020 4:48 AM
> *To: *Users <users at lists.quantum-espresso.org>
> *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: soumyadeepghosh35 at gmail.com, soumyadeep at rrcat.gov.in
>
> -------------------------------------------------------------------
>
>
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-- 
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
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