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) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users