*Hi Dear QE experts,* *I ran a job file of silicon (4*4*4) supercell (total 128 atoms) and ended up with the following error.*
Abort(336148997) on node 40 (rank 40 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc4cef5528) failed PMPI_Comm_free(85).: Null communicator Abort(940128773) on node 44 (rank 44 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd12d17fa8) failed PMPI_Comm_free(85).: Null communicator Abort(940128773) on node 56 (rank 56 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff2e304428) failed PMPI_Comm_free(85).: Null communicator slurmstepd: error: *** STEP 1982493.0 ON node-146 CANCELLED AT 2024-07-22T12:49:17 *** srun: Job step aborted: Waiting up to 32 seconds for job step to finish. srun: error: node-149: tasks 48-71: Killed srun: error: node-146: tasks 0-23: Killed srun: error: node-147: tasks 24-47: Killed *Here is my job file. I have also attached the input file si.scf.in <http://si.scf.in> for your kind perusal. * #!/usr/bin/env bash #SBATCH --job-name=hasanjob #SBATCH --nodes=3 # node count #SBATCH --ntasks-per-node=24 # number of tasks per node #SBATCH --cpus-per-task=1 # cpu-cores per task (>1 if multi-threaded tasks) #SBATCH --mem-per-cpu=5gb # Job memory request #SBATCH --time=120:00:00 # Time limit hrs:min:sec #SBATCH --output=sdc_save.txt # Standard output and error log #SBATCH --partition=skylake # MOAB/Torque called these queues module unload mvapich2 module load mvapich2-intel/2.3.5 module load quantum-espresso srun pw.x < si.scf.in > si.scf.out *Would you please help me to solve the problem? I have opened the structure in xcrysden and it looks fine to me.* Best Md Jahid Hasan PhD student Mechanical Engineering University of Maine
Abort(336148997) on node 40 (rank 40 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc4cef5528) failed PMPI_Comm_free(85).: Null communicator Abort(940128773) on node 44 (rank 44 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd12d17fa8) failed PMPI_Comm_free(85).: Null communicator Abort(940128773) on node 56 (rank 56 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff2e304428) failed PMPI_Comm_free(85).: Null communicator slurmstepd: error: *** STEP 1982493.0 ON node-146 CANCELLED AT 2024-07-22T12:49:17 *** srun: Job step aborted: Waiting up to 32 seconds for job step to finish. srun: error: node-149: tasks 48-71: Killed srun: error: node-146: tasks 0-23: Killed srun: error: node-147: tasks 24-47: Killed
si.scf.in
Description: Binary data
siv1.slurm
Description: Binary data
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