Dr. Stefano, yes, I agree with you on the point of tmp_dir. There is no tag for this.
However, I don't think the outdir "must" be right, generally in the linux system, we don't have /scratch/ and most of the users cannot write data in root directory "/". I think what he really need is "./scratch" but not "/scratch/". Hence, Korichi, please check both of these in your case. 2016-05-23 10:59 GMT+09:00 stefano de gironcoli <degir...@sissa.it>: > outdir is fine > there isn't such a thing as tmp_dir tho. > stefano > > > > On 23/05/2016 03:12, Yue-Wen Fang wrote: > > Hi, Korichi > > I think outdir='/scratch/' could be wrong, are your sure it is not > "~/scratch" or some other directory? > > In addtion, please include your affiliation next time when you post new > thread. > > Bests > Fang > > > 2016-05-23 5:30 GMT+09:00 Korichi Khadija <kooori...@gmail.com>: > >> hello >> >> I am new to Quantum Espresso and when I run pw.x of the scrpit below , >> >> &control >> calculation='scf' >> restart_mode='from_scratch', >> pseudo_dir='/home/Julnar/software/espresso-4.3.2/pseudo', >> outdir='/scratch/' >> prefix='lead' >> tmp_dir='/home/Julnar/software/espresso-4.3.2/S3DE/iotk/tmp' >> >> / >> &system >> ibrav = 6, >> celldm(1) = 7.5416, >> celldm(3) = 0.98655, >> nat= 5, >> ntyp= 3, >> nspin = 2, >> starting_magnetization(2)=1.0, >> ecutwfc = 37.0, >> ecutrho = 370.0 >> occupations='smearing', >> smearing='methfessel-paxton', >> degauss=0.01 >> / >> &electrons >> conv_thr = 1.0e-8 >> mixing_beta = 0.1 >> / >> ATOMIC_SPECIES >> Sr 87.62 Sr.pw91-nsp-van.UPF >> Ru 101.10 Ru.pw91-n-van.UPF >> O 16.00 O.pw91-van_ak.UPF >> ATOMIC_POSITIONS >> Sr 0 0 0 >> O 0.5 0.5 0 >> Ru 0.5 0.5 0.494 >> O 0.5 0 0.494 >> O 0 0.5 0.494 >> K_POINTS (automatic) >> 10 10 10 1 1 1 >> >> >> >> *************************************************************************************** >> >> I am getting the following error: >> >> >> This program is part of the open-source Quantum ESPRESSO suite >> for quantum simulation of materials; please cite >> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); >> URL http://www.quantum-espresso.org";, >> in publications or presentations arising from this work. More >> details at >> http://www.quantum-espresso.org/quote >> >> Parallel version (MPI), running on 1 processors >> Waiting for input... >> Reading input from standard input >> >> >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> Error in routine read_namelists (5010): >> reading namelist control >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> Please may someone shed some light on to why this is the case, and if there >> is anything wrong with my input. ? >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > ------------------------------------------------------------------------------------------------------------ > > Yue-Wen FANG, PhD student > East China Normal University <http://english.ecnu.edu.cn/>, China > Japan Fine Ceramics Center, Japan > > > > > > _______________________________________________ > Pw_forum mailing > listPw_forum@pwscf.orghttp://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- ------------------------------------------------------------------------------------------------------------ Yue-Wen FANG, PhD student East China Normal University <http://english.ecnu.edu.cn/>, China Japan Fine Ceramics Center, Japan
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