[QE-users] slow initialization

[Geng Sun]

Dear QE users,
I compiled the pw.x on a local computer,
The program runs smoothly, however, I found that the initial step during the SCF is very slow,
For example:

[ac57hogdiz at login03 test_smaller_cutoffs]$ grep -a time espresso.pwo
     total cpu time spent up to now is      788.2 secs
     total cpu time spent up to now is      997.8 secs
     total cpu time spent up to now is     1073.4 secs
     total cpu time spent up to now is     1133.0 secs
     total cpu time spent up to now is     1189.4 secs
     total cpu time spent up to now is     1261.5 secs
     total cpu time spent up to now is     1371.5 secs
     total cpu time spent up to now is     1655.6 secs

as you see the initialization step takes about 800 seconds, but following steps take only 100 seconds.

I have tested several different types of jobs using different initial structures, species, etc. They all suffer from the slow initialization.

Is there any suggestions that I can improve the efficiency?
Thank you very much in advance.
Best,
Gen

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