Dear Brad, Your missing CRASH file remembers me when I made QE eat up all disk space on the disk used to be used. End of logs and a lot more were missing, only "df ." gave me the hint. So the naive question raises: is it not your case, too? t
On Thu, Nov 5, 2020 at 3:05 PM Baer, Bradly <[email protected]> wrote: > > Good morning, > > I am using QE6.5. I believe pw.x is crashing, but I cannot find the CRASH > file afterwards and there is not crash information in the .out file, it just > stops. I've pasted the output below. > > Program PWSCF v.6.5 starts on 4Nov2020 at 16:25:44 > > 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); > "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); > 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 32 processors > > MPI processes distributed on 2 nodes > R & G space division: proc/nbgrp/npool/nimage = 32 > Reading input from AlNGaNSuperlatticeWZScf.in > Warning: card &IONS ignored > Warning: card / ignored > Warning: card &CELL ignored > Warning: card / ignored > > 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 > Message from routine read_upf:: > Pseudo file Ga.pbe-dn-kjpaw_psl.1.0.0.UPF has been fixed on the fly. > To avoid this message in the future, permanently fix > your pseudo files following these instructions: > https://gitlab.com/QEF/q-e/blob/master/upftools/how_to_fix_upf.md > > > -Brad > > -------------------------------------------------------- > Bradly Baer > Graduate Research Assistant, Walker Lab > Interdisciplinary Materials Science > Vanderbilt University > > > ________________________________ > From: users <[email protected]> on behalf of Paolo > Giannozzi <[email protected]> > Sent: Thursday, November 5, 2020 2:33 AM > To: Quantum ESPRESSO users Forum <[email protected]> > Subject: Re: [QE-users] Running efficiently on multiple nodes > > On Wed, Nov 4, 2020 at 11:28 PM Baer, Bradly <[email protected]> > wrote: > > > Now that I have two nodes, the script for a single node results in a crash > shortly after reading in the pseudopotentials. > > > which version of QE are you using, and which crash do you obtain, with which > executable? > > Paolo > -- > 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 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
