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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