Hi, Paolo,
Thank you very much, I removed the following sentence in PW/src/input.f90, and re-compiled pw.x by gfortran under MinGW. Now, it works well for scf, nscf and bands calculations (it has been only tested these three tasks so far). IF ( ios > 0 ) CALL errore ('check_tempdir','tmp_dir cannot be opened',1) Best Regards, -- GAO Zhe, Dr., Research Engineer, Gypsum Activity R&D - Asia, Saint-Gobain Research Shanghai Co., Ltd., No. 55, Wenjing-road, Minhang-district, Shanghai, China, Tel: +86-21-5475-7251 At 2016-08-10 15:07:19, "Paolo Giannozzi" <p.gianno...@gmail.com> wrote: >You find check_tempdir in PW/src/input.f90. It is used only there. > >Paolo > >On Tue, Aug 9, 2016 at 10:19 AM, GAO Zhe <flux_ra...@163.com> wrote: >> Dear all, >> >> I have compiled QE 5.4.0 through gfortran (4.6.2) and gcc (4.6.2) under >> MinGW of Windows 7 (32-bit). However, when I run the pw.exe, it gives an >> error as the blue information. Even reading the input files successfully run >> before, the same error occurred. It seems the program can create the temp >> directory assigned by outdir variable, but, it cannot generate the save >> folder - ${prefix}.save. >> As a confirmation of authority of directory, the older version - 5.1.2 (also >> compiled by same compilers and environment) - was tested on the same input >> files and all runs were succeed. >> Would you like to let me know how to overcome this problem, or let me know >> the location of sub-routine of check_tempdir. >> Many thanks, >> Best Regards, >> >> Program PWSCF v.5.4.0 starts on 9Aug2016 at 16: 6:14 >> >> 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 >> >> Serial version >> Waiting for input... >> Reading input from standard input >> >> Current dimensions of program PWSCF are: >> Max number of different atomic species (ntypx) = 10 >> Max number of k-points (npk) = 40000 >> Max angular momentum in pseudopotentials (lmaxx) = 3 >> >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> Error in routine check_tempdir (1): >> tmp_dir cannot be opened >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> >> stopping ... >> STOP 1 >> >> -- >> GAO Zhe, Dr., >> Research Engineer, >> Gypsum Activity R&D - Asia, >> Saint-Gobain Research Shanghai Co., Ltd., >> No. 55, Wenjing-road, Minhang-district, Shanghai, China, >> Tel: +86-21-5475-7251 >> >> >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> 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 >_______________________________________________ >Pw_forum mailing list >Pw_forum@pwscf.org >http://pwscf.org/mailman/listinfo/pw_forum
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