[QE-users] Large input files and pw.x

[Aaron Friesz]

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 at 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 at d11-28.hpc.usc.edu] HYDT_dmxu_poll_wait_for_event
(tools/demux/demux_poll.c:77): callback returned error status
[proxy:0:0 at d11-28.hpc.usc.edu] main (pm/pmiserv/pmip.c:200): demux engine
error waiting for event
[mpiexec at d11-28.hpc.usc.edu] control_cb (pm/pmiserv/pmiserv_cb.c:208):
assert (!closed) failed
[mpiexec at d11-28.hpc.usc.edu] HYDT_dmxu_poll_wait_for_event
(tools/demux/demux_poll.c:77): callback returned error status
[mpiexec at d11-28.hpc.usc.edu] HYD_pmci_wait_for_completion
(pm/pmiserv/pmiserv_pmci.c:196): error waiting for event
[mpiexec at d11-28.hpc.usc.edu] main (ui/mpich/mpiexec.c:336): process manager
error waiting for completion
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