[Pw_forum] phonon calculation of h2 molecule

[Eyvaz Isaev]

Hi again,
 
I would like just to add that I tested your input file
on a single CPU PC. 
You can try start it using just one CPU, if you are
using a parallel computer. If there is no problem the
error is due to  your network.

Bests,
Eyvaz.


--- Chaohao Hu <chaohao2002 at 163.com> wrote:

> Sorry£¬here is new error infromation shown in my
> terminal.
> ============================================
> running the phonon calculation at Gamma
> .../run_h2_zero line 127: 23128 block error
> ============================================
> 
> And here is my the end of h2.phG.out file.
> ============================================
> ......
> 	Representaion	3   2 modes - To be done
> 	Representaion	4   2 modes - To be done
> 	PHONON         :   5.76 CPU time
> 
>         Alpha used in Ewald sum =   1.2000
> 
> 	Electric Fields Calculation
> 
> 	 iter #   1 total cput ieme :    12.4 secs  
> av.it.:   5.0
>          thresh= 0.100E-01 alpha_mix = 0.700 ddv_scf
> 2 = 0.480E_07
> ============================================
> Please help me!
> Thanks.
> Best regards,
> Chaohao
> 
> 
>
============================================================
> Dr.Ch.H.Hu
> Institute of Metal Research,Chinese Academy of
> Sciences--IMR
> Wenhua Road, 72
> 110016, Shenyang, Liaoning (China)
> Phone: +086-024-23971641
> Email: chhu at imr.ac.cn
> 
> 
> 
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