[QE-users] error in libxc-enabled QE run: Internal List-Directed Read

[Fabrizio Ferrari]

Hi,
I noticed a mismatch between the length of the dft string and the variable
assigned to it in one of the involved routines. This causes error in some
cases. It seems an easy fix and I will commit it on the develop branch
soon. I'll inform you when it's ready.
Cheers

On Mon, Apr 27, 2020 at 3:03 PM Michal Krompiec <michal.krompiec at gmail.com>
wrote:

> Hello,
> When running an epsilon.x calculation following a (successful) SCF
> calculation, I am getting this error:
>      Reading xml data from directory:
>
>      ./sic.save/
> forrtl: severe (24): end-of-file during read, unit -5, file Internal
> List-Directed Read
> Image              PC                Routine            Line        Source
> epsilon.x          00000000050AB67B  Unknown               Unknown  Unknown
> epsilon.x          00000000050D7C32  Unknown               Unknown  Unknown
> epsilon.x          00000000050D69B8  Unknown               Unknown  Unknown
> epsilon.x          000000000078B13A  Unknown               Unknown  Unknown
> epsilon.x          00000000007891EB  Unknown               Unknown  Unknown
> epsilon.x          0000000000423239  Unknown               Unknown  Unknown
> epsilon.x          0000000000427E12  Unknown               Unknown  Unknown
> epsilon.x          000000000040841C  Unknown               Unknown  Unknown
> epsilon.x          0000000000407D22  Unknown               Unknown  Unknown
> libc-2.22.so       00002B26D0428725  __libc_start_main     Unknown
> Unknown
> epsilon.x          0000000000407C29  Unknown               Unknown  Unknown
>
> There is no indication that the wavefunctions weren't saved properly.
> Exactly the same script (but with the standard QE and PBEsol
> functional) works fine.
> I am using QE 6.5 (yesterday's develop branch), linked with libxc
> 4.3.4. I would be grateful for any advice.
>
> Thanks,
> Michal
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200427/0f02f27e/attachment.html>