Hello Dear Paolo and co-workers, I am having some difficulties in obtaining output file when I run parallel calculation with scf (pw.x).
Using OpenMPI, I used these commands: mpirun -np 4 ~/Software/espresso-5.1/bin/pw.x -ni2 -nk2 -i pvdf.scf.in >pvdf.scf.out mpirun -np 4 ~/Software/espresso-5.1/bin/pw.x -i pvdf.scf.in >pvdf.scf.out and the calculation works but the problem is the output file, where everything is written many times, the same number of times of the number of processors i've been used, so if i use 4 processor the output file data are written 4 times, if i use 3 processors the data are written in the same output file 3 times and so on and everything in the output file became FUZZY grep or awk command give multiple data instead of only once per simulation, it prints me many data as the same amount of processors i use I had the same problem with the input file with this synthax: mpirun -np 4 ~/Software/espresso-5.1/bin/pw.x -ni2 -nk2 < pvdf.scf.in >pvdf.scf.out I solved the problem for the input file with this synthax: mpirun -np 4 ~/Software/espresso-5.1/bin/pw.x -ni2 -nk2 -i pvdf.scf.in >pvdf.scf.out This synthax doesn't solve the problem: mpirun -np 4 ~/Software/espresso-5.1/bin/pw.x -ni2 -nk2 -i pvdf.scf.in -o pvdf.scf.out So now the input file is written only once (avoiding problems during the reading), but i do not know how to solve the problem witht the output file tha tis still written many times instead of only once I am not finding anywhere a complete list of argument i can use in pw.x...... Can you help me? Best wishes Sincerly Francesco Pelizza _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
