Hii, If you are doing k-point parallel calculation (having number of k-points in IBZ more then 12) then use below script on terminal where you want to run the calculation or use in your job script with -p option in run(sp)_lapw (-so).
if anyone knows how to repeat a nth line m times in a file then this script can be changed. Below script simply coping machine file from temple directory and updating it as per your need. So you do not need copy it, open it in your favorite editor and do it manually. cp $WIENROOT/SRC_templates/.machines . ; grep localhost .machines | perl -ne 'print $_ x 6' > LOCALHOST.dat ; tail -n 2 .machines > grang.dat ; sed '22,25d' .machines > MACHINE.dat ; cat MACHINE.dat localhost.dat grang.dat > .machines ; rm LOCALHOST.dat MACHINE.dat grang.dat regards Bhamu On Wed, May 22, 2019 at 10:52 PM Indranil mal <[email protected]> wrote: > respected sir/ Users, > I am using a PC with intel i7 8th gen (with 12 cores) > 32GB RAM and 2TB HDD with UBUNTU 18.04 LTS. I have installed > OpenBLAS-0.2.20 and using GNU FORTRAN and c compiler. I am trying to run a > system with 100 atoms only two cores are using the rest of them are idle > and the calculation taking a too long time. I have not installed mpi > ScaLAPACK or elpa. Please help me what should I do to utilize all of the > cores of my cpu. > > > > Thanking you > > Indranil > _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/[email protected]/index.html >
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