Anybody with system privileges can create a user-writable "/scratch" directory if so desired. The code will anyway complain that "/scratch" if not writable if it is not.
Paolo On Mon, May 23, 2016 at 3:54 PM, Yue-Wen Fang <[email protected]> wrote: > 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 <[email protected]>: > >> 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 <[email protected]>: >> >>> 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 >>> [email protected] >>> 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 >> [email protected]http://pwscf.org/mailman/listinfo/pw_forum >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> 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 list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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