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) Thanks, Gul -- Dr. Gul Rahman Assistant Professor, Department of Physics, Quaid-i-Azam University, Islamabad, Pakistan http://www.qau.edu.pk/profile.php?id=818020
makefile_QE
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