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@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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