[Pw_forum] segmentation fault

[Bahadır salmankurt]

Dear Vishal Gupta

what is QE version? the same error occured when I was computing band
structure in qe 5.2.0 not 5.1.1.

maybe a older version can solve the problem.

bests

2015-08-21 20:43 GMT+03:00 Vishal Gupta <vishal.gupta at iitrpr.ac.in>:

> I've been running an SCF calculation for a fee Ni system on High
> performance cluster.
> This system consists of 76 Ni atoms. The job runs fine with processors 7
> or less but it always leads to segmentation fault if the no of processors
> exceeds 7.
> I asked this doubt last week too and it was suggested that there might be
> something wrong either with the input file or the cluster.
> So, I ran an input file having single Ni atom. It worked fine with 1
> processor;
> it gave some errors when run on 7 or more processors(like smearing charge
> or G vectors) but it never gave any error concerning "segmentation fault"
> or memory leak, no matter how high the no of processors was.
> So does this confirm there is something wrong with the 76 atom input file ?
> If yes what could it possibly be or how can I rectify it ?
>
> Thank You for hearing my problem.
> Vishal Gupta
> B.Tech. 3rd year Mechanical
> Indian Institute of Technology Ropar
> Rupnagar (140001), Punjab, India.
> Email :- vishal.gupta at iitrpr.ac.in
>
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