**not a trixie issue** Quantum Expresso installation

[anusurendra]

Hi,

Has anyone tired to install Quantum Expresso in a linux system. I am having some trouble with the install.

Thanks in advance,
Anu

[nrcfieldsa]

Install steps provided through email. Please let us know if there are any further issues in your use of Quantum Espresso on research network.

For all users on trixie cluster - it is possible to leverage the QE software in the following manner:

1. First obtain and login to your account through ssh;
2. Upload an example input file or copy test case in /gpfs/share/Examples/qe/ for pw.x to make use of;
3. Then type the following commands:

$ module load openmpi
$ module load quantumespresso
$ srun -N 2 -n 32 --ntasks-per-node=16 --time 06:00:00 --pty /bin/bash -l
$ ulimit -l unlimited
$ mpirun pw.x < SiO2-50ry.in > SiO2-50ry.out