[Wien] Bug (for me anyway) with all parallel Makefile.orig

Laurence Marks L-marks at northwestern.edu
Thu Jul 12 05:41:10 CEST 2018


Two parts:
a) All the framework Makefile.orig files include either
  RP_LIBS = ... $(R_LIBS) ...
or
  RP_LIBS = ..._R_LIBS_ ...

Because of this the options for multithreading mkl get used for mpi
versions. In a very simple case (bulk MgO) this made my lapw1_mpi about 3
times slower!

b) Connected to the above, the writes at line 1759 do not output RP_LIBS,
although they are read at line 172.

N.B., I did not see where to set/change RP_LIBS, I did it by hand.

-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180711/2c85c134/attachment.html>


More information about the Wien mailing list