Dear Christoph Wolf,
Thanks for your support.
Yes, I compile it myself using gfortran and
openmpi software.
1) Do I have to use other version? Could you please suggest me which
version exactly for workstation? I am asking this because you
I see you are using the MAX version. If I remember correctly I also had a
minor problem with that one at some point. Did you compile it yourself?
Which compiler and libraries did you use? In my limited experience intels
compiler and mkl works with the least hassle.
What is the required RAM (scf
Dear Christoph Wolf,
Thanks for your reply. The RAM size in my our department
workstation is 32 GB. I will also try to use small jobs.
The commands I used are
[Dell@centos7 ~]$ /lib64/openmpi/bin/mpirun -np 24
/home/Dell/qe-6.3/bin/ph.x
/home/Dell/phonon/relaxed/ph.out^C
Sometimes a single process can crash and cause others to hang. Are you sure
you have plenty of RAM available (ph.x requires more RAM than pw.x in my
experience).
Try running a smaller job on a single processor first. Also try avoiding
hyperthreading (depending on if you have 30 physical cores or
Dear All,
I recently downloaded q-e-6.3 and installed it into my
workstation consisting of 30 processors. While I ran phonon calculation for
anatase unitcell, I observed an error.
Computing dynamical matrix for
q = ( 0.500 0.250 -0.1020743 ) for this
