[Pw_forum] virtual.x running error in QE-5.4.0

[Yue-Wen Fang]

Dear all,

I had a crash problem in running virtual.x within qe-5.4.0. Actually, two
or three years ago I have ever used virtual.x to mix PPs. At that time it
could run well within qe-4.3.2. Could you give me some suggestions on the
current problem?

Virtual.x was run in a command line mode, and the errors were

* Generate the UPF pseudopotential for a virtual atom*
* combining two pseudopootentials in UPF format*

*  Input PP file #  1 in UPF format > O.pz-n-rrkjus_psl.1.0.0.UPF*
*  IOS=            0           1           4*
*  Reading pseudopotential file in UPF format...*

* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%*
*     Error in routine scan_begin (1):*
*     No HEADER block*
* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%*

*     stopping ...*
*Attempting to use an MPI routine before initializing MPI*



Bests
Fang


-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD student
East China Normal University <http://english.ecnu.edu.cn/>, China
Japan Fine Ceramics Center, Japan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20161110/47ff560a/attachment.html>