I too am facing similar problem. As suggested by Mr. Kamraj I checked the compiler. Surprisingly some nscf calculations are running fine, while some are not. So, I guess it may not be compiler. Pl. help. I am using QE 4-1.2 Thanks amita best wishes Dr B.E.Amitha rani Principal Scientist Surface Engineering Division National Aerospace Laboratories Bangalore-560 017. INDIA Ph:080-25086473/25086252 Fax: 080-25210113 > Dear all, > > While running nscf calculation, i am getting the following error.. > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > task # 127 > from seqopn : error # 1 > error opening gra.restart > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > > i am using 4.1.2 version of QE with Intel(R) Xeon(R) CPU E5-2670 0 @ > 2.60GHz machine. i have checked in the working directory, that > gra.restart > file is available. the same calculation is running well with 5.1.1 version > of QE. i want to add another point here, some other nscf calculations > are > running well without any problem with 4.1.2 version. i am not able to > trace > the exact solution for this problem. can any one help me? > > > -- > Regards: > M.Kamaraj > Chemical Lab > CSIR-Central Leather Research Institute > Adyar, Chennai, India. 600 020. > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
best wishes amitha Dr B.E.Amitha rani Principal Scientist Surface Engineering Division National Aerospace Laboratories Bangalore-560 017. INDIA Ph:080-25086473/25086252 Fax: 080-25210113 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
