Dear Admin/Users,
I was running a scientific application- QuantumATK on two nodes of a cluster(OS- Rocky Linux 8.6). When running the simulations, the job stops and gives out the following error:
Abort(1615247) on node 0 (rank 0 in comm 0): Fatal error in PMPI_Init: Other MPI error, error stack:
MPIR_Init_thread(176)........:
MPID_Init(1525)..............:
MPIDI_OFI_mpi_init_hook(1597):
MPIDU_bc_table_create(320)...: Missing hostname or invalid host/port description in business card
The SLURM Script is as:
#!/bin/bash
#SBATCH --job-name=QuantumATK
#SBATCH --ntasks=120
#SBATCH --ntasks-per-node=60
#SBATCH --nodes=2
#SBATCH --cpus-per-task=1
#SBATCH --output=%x-%j.out
#SBATCH --error=%x-%j.err
#SBATCH --partition=normal
#SBATCH --mem=210GB
cd $SLURM_SUBMIT_DIR
export ATK=/home/user/QATK/QATK_W_SP2/Install/quantumatk/W-2024.09-SP2/bin/atkpython
export MPI=/home/user/QATK/QATK_W_SP2/Install/quantumatk/W-2024.09-SP2/mpi/bin/mpiexec.hydra
export MPIE=/home/user/QATK/QATK_W_SP2/Install/quantumatk/W-2024.09-SP2/mpi/bin/mpiexec
export MKL_DYNAMIC=TRUE
export OMP_NUM_THREADS=1
export MKL_NUM_THREADS=1
export LM_LICENSE_FILE="####@*********":"###@***********"
export SNPSLMD_LICENSE_FILE="####@**********":"####@*******"
${MPI} ${ATK} in.py > out.log
Kindly help in this regard. Thanks
