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QE 6.3 incorrectly prints total wall-time: add workaround?

Open borellim opened this issue 6 years ago • 0 comments

A bug introduced in QE 6.3 causes an incorrect printout of the final wall-clock time, when it is >=1 hour and <1 day. The bug was fixed at this commit (notice line 438), and backported in a separate branch qe-6.3-backports that may or may not be released in the future as QE 6.3.1. In any case, those using QE 6.3 will have incorrect wall-clock times and will not realise it.

Should the aiida-quantumespresso parser implement a workaround for this bug?

Here is an example of incorrect printout. The time is printed as 26h 6m WALL when it should be 6h 35m WALL. The 26 is taken from the minutes of the CPU time, and the 35 is printed two lines later as 35h.

[...]

     Parallel routines
     fft_scatt_xy :   1444.20s CPU   1450.47s WALL ( 2091265 calls)
     fft_scatt_yz :    830.14s CPU    833.77s WALL ( 2091265 calls)
 
     PWSCF        :     6h26m CPU       26h 6m WALL

      35h
 
   This run was terminated on:  19: 8:16  29Aug2018    

borellim avatar Sep 27 '18 14:09 borellim