[Pw_forum] QE_Parallel

Gul Rahman gulrahman at qau.edu.pk
Sun Apr 5 18:04:36 CEST 2015

Dear All,
Thanks for your comments. As I mentioned in my previous e-mail that my
parallel calculations are very slow.
I am using Supercomputer, The Super Computer is comprised of 32 Intel Xeon
based machines.
Please, see the attached make.sys file that I used to compile the QE code.
With similar libraries, I also installed SIESTA and that works fine, but I
have problem with QW.
Let me know if there are some issues with my make file.

I use this option to run the calculations.
mpirun -np 32 --hostfile machines ./mpi_script.sh
 where mpi_script.sh file just contain the command for pw.x (./pw.x <
myfile.scf.in >OUT)


Dr. Gul Rahman
Assistant Professor,
Department of Physics,
Quaid-i-Azam University,
Islamabad, Pakistan
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