Dear Manu, Thank you so much. I will try as per your suggestion. Regards Sudha
On 09-Oct-2017 10:03 pm, "Manu Hegde" <mhe...@uwaterloo.ca> wrote: > looks like you have not provided the PATH in bash file. do something like > this > > export PATH=$PATH:/complete_path_to_espresso-6.1*/bin/ > > > > On Mon, Oct 9, 2017 at 4:32 AM, Sudha Priyanka <sudhapriyang...@gmail.com> > wrote: > >> Dear experts >> I am beginner in using this Quantum Espresso software and I need to >> clarify my doubt regarding the same. I have installed QE-6.1 in ubuntu >> 16.04 LTS.I have installed QE in Laptop and I have checked the proper >> installation by running the example files and successfully got the results. >> But when I am trying to run for my own input, I got the error "bash: pw.x: >> no input files in the directory". Please tell me how to solve this. >> >> Right now I am doing calculations by coping pw.x from PW path and paste >> it in the concerned directory and then I am running all the calculation. >> >> >> When I am trying to calculate DOS for Ni, I got the following error while >> running ni.dos.in. (I have enclosed my input files herein) >> I am using the following command to run scf, nscf and dos >> For scf: ./pw.x <ni.scf.in >ni.scf.out >> For nscf: ./pw.x <ni.nscf.in >ni.nscf.out >> For dos: ./dos.x <ni.dos.in >ni.dos.out (Error: Error in routine dos (1): >> reading dos namelist) >> >> Am I running correct or not? >> >> For dos:./pw.x <ni.dos.in >ni.dos.out (Error in routine read_namelists >> (1): >> bad line in namelist &control: "" (error could be in the previous >> line)) >> For dos: ./pp.x <ni.dos.in >ni.dos.out (Error in routine postproc (1): >> reading inputpp namelist) >> >> Which one is correct: ./dos.x <ni.dos.in >ni.dos.out (or) >> ./pw.x <ni.dos.in >ni.dos.out (or) >> ./pp.x <ni.dos.in >ni.dos.out? >> >> Please help me to fix these errors and help me to plot dos.. >> >> Regards >> Sudha Priyanka >> >> _______________________________________________ >> 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 >
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