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.gu...@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.gu...@iitrpr.ac.in > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum