[QE-users] qe-6.4.1-qmcpack vs qe-6.7 Performace?

[Stephen Zhang]

Hi Everyone,

I'm currently using both the latest qe-6.7 and qe-6.4.1 qmcpack in my
school computing HPC cluster and i've noticed that qe-6.4.1-qmcpack's
version of pw.x is several times faster than qe-6.7 when performing scf and
nscf runs. Both were configured for parallel runs using openmpi. Another
difference is that while qe-6.4.1-qmcpack's pw.x is much faster during the
run, it is also much slower when writing the data into prefix.save compared
to qe-6.7, however this may be due to the fact that the 6.4.1-qmcpack's
pw.x is configured to write the wavefunctions in the hdf5 format. The final
difference I noticed was that qe-6.4.1-qmcpack's pw.x's filesize is much
larger at 20mb compared to 4mb for qe-6.7's pw.x.

Thanks,
Stephen


-- 
*University of California, Berkeley*
*Department of Letter and Sciences*
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