Dear QE team and users: I am doing phonon dynamics calculation using QE V6.8 in my personal laptop. I installed openmpi 4.1.1 and QE V6.8(QE based on intel compiler using intel mkl library) . after PWscf calculation, when i try to carry on " mpirun np 6 ph.x<AAA.ph.in>xxx.ph.out" . i found the ph.x calculation is very slowly for 10 atoms. it needs few days in my personal laptop (6 core i7, 128G RAM) i doubt that it was running np copies of the same process. meanwhile. i found that if i simply use " pw.x -i AAA.in> AAA.out " instead of " mpirun np 6 pw.x<AAA.in> AAA.out. the calculation speed is very fast in my personal laptop. but if I using ph.x -i or just ph.x<AAA.ph.in>AAA.ph.out instead " mpirun np 6 ph.x<AAA.ph.in>xxx.ph.out" some error will happen after a succeful Pwscf calculation. ( the prefix and outdir is same for the pw.x and ph.x input file)
So, my question is that does ph.x support serical (MPI) running? how can I speed up ph.x computing? Thank you very much. Yang Gang Institut des Nanotechnologies de Lyon (INL) - UMR5270 Ecole Centrale de Lyon 36, Avenue Guy de Collongue 69 134 Ecully Cedex Tél.: +33 (0)7 64 83 01 70
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