Dear Srihari,
your problem is in the parallel execution:
On 2/4/22 07:57, Srihari Venugopala Rao wrote:
Parallel version (MPI & OpenMP), running on 32 processor cores
Number of MPI processes: 1
Threads/MPI process: 32
Do not use openMP, use MPI. Your execution should look something like this
export OMP_NUM_THREADS=1
mpirun -np 16 /path/to/pw.x -inp input > output
The output should look something like this:
Parallel version (MPI & OpenMP), running on 16 processor cores
Number of MPI processes: 16
Threads/MPI process: 1
Further optimization may be obtained with the -npool option (see user
guide).
Best,
Pietro
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