That cleared that particular issue right up. Is there any general info on running large cells that might shed light on the other problems and bottlenecks you hinted at?
On Mon, Jan 18, 2021 at 12:24 PM Paolo Giannozzi <p.gianno...@gmail.com> wrote: > pw.x -in input will likely solve your issue, but with such a large cell, > you will hit all kinds of problems and bottlenecks. > > Paolo > > > On Mon, Jan 18, 2021 at 7:38 PM Aaron Friesz <fri...@usc.edu> wrote: > >> I have a fairly large system that (~34k atoms) that I'm attempting to >> use. The input file to pw.x is about 1.8 MB with all of the atomic >> locations listed out and I think this is giving the program issues on my >> cluster. Reason being that I have a smaller example that will run with no >> problem, but when I attempt to run this larger file with the same setup on >> my infrastructure. I am providing the input using 'pw.x < input > output' >> as I learned in the tutorials. >> >> So my question: Is there a better way to input a large structure such as >> this? >> >> Thanks for any suggestions or help, >> >> Aaron >> >> >> >> For those that are curious, my errors are as follows: >> >> [proxy:0:0...@d11-28.hpc.usc.edu] HYD_pmcd_pmip_control_cmd_cb >> (pm/pmiserv/pmip_cb.c:921): process reading stdin too slowly; can't keep up >> [proxy:0:0...@d11-28.hpc.usc.edu] HYDT_dmxu_poll_wait_for_event >> (tools/demux/demux_poll.c:77): callback returned error status >> [proxy:0:0...@d11-28.hpc.usc.edu] main (pm/pmiserv/pmip.c:200): demux >> engine error waiting for event >> [mpie...@d11-28.hpc.usc.edu] control_cb (pm/pmiserv/pmiserv_cb.c:208): >> assert (!closed) failed >> [mpie...@d11-28.hpc.usc.edu] HYDT_dmxu_poll_wait_for_event >> (tools/demux/demux_poll.c:77): callback returned error status >> [mpie...@d11-28.hpc.usc.edu] HYD_pmci_wait_for_completion >> (pm/pmiserv/pmiserv_pmci.c:196): error waiting for event >> [mpie...@d11-28.hpc.usc.edu] main (ui/mpich/mpiexec.c:336): process >> manager error waiting for completion >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu >> <https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!6V66pETNKGQQ_lDcsKyloW_3rB0JTgGZz8h8vH9QOtXDBtwqxBBuBS_PFBQGaw$> >> ) >> users mailing list users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users >> <https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!6V66pETNKGQQ_lDcsKyloW_3rB0JTgGZz8h8vH9QOtXDBtwqxBBuBS8ZTqtOTA$> > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 206, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX ( > https://urldefense.com/v3/__http://www.max-centre.eu__;!!LIr3w8kk_Xxm!6V66pETNKGQQ_lDcsKyloW_3rB0JTgGZz8h8vH9QOtXDBtwqxBBuBS_PFBQGaw$ > ) > users mailing list users@lists.quantum-espresso.org > > https://urldefense.com/v3/__https://lists.quantum-espresso.org/mailman/listinfo/users__;!!LIr3w8kk_Xxm!6V66pETNKGQQ_lDcsKyloW_3rB0JTgGZz8h8vH9QOtXDBtwqxBBuBS8ZTqtOTA$
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