[Pw_forum] Jobs can't finish with the tag of vdw_corr

Giovanni La Penna glapenna at iccom.cnr.it
Mon Sep 1 10:05:14 CEST 2014

I have the same problem running PW relax calculations


I noticed the core dump when writing the
forces at scf convergence. No errors if no
convergence is achieved (electron_maxstep=1).
Then I found that removing


the scf calculation ends normally. But tprnfor
is true by default for relax calculations.
It seems a problem related with vdw forces.

Version: espresso-5.1
Architecture: Intel core-i7
OS: Linux Ubuntu 14.04
Compiler: Intel Ifort 14.0.3 20140422

           Giovanni La Penna (CNR, Italy)

On Fri, 29 Aug 2014, Paolo Giannozzi wrote:

> On Thu, 2014-08-21 at 17:03 +0800, ??? wrote:
>> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> http://www.quantum-espresso.org/faq/frequent-errors-during-execution/#5.2
> You haven't provided any evidence that the problem is related to the
> "vdw_corr" tag, by the way.
> P.
> -- 
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
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