Hi, I am doing the convergence test against ecutwfc. I got the energies for ecutwfc 40, 50 and 60. But when I run it for ecutwfc 70, I have got the errors (sdc.rxt attached). Would you please suggest me where the problems are? I have attached the error file (sdc.txt), input file (si.scf.in) and part of the inputs and errors I have copied here. *Here is my job file:* #!/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.txt # Standard output and error log #SBATCH --partition=skylake # MOAB/Torque called these queues
module load quantum-espresso/7.3.1-intel
srun pw.x < si.scf.in > sc.scf.out
%%%%%%%
&control
calculation = 'scf'
restart_mode = 'from_scratch'
prefix = 'si'
pseudo_dir = './'
outdir = './out'
/
&system
ibrav = 0
nat = 1024
ntyp = 1
ecutwfc = 70.00
/
&electrons
diagonalization = 'david'
mixing_mode= 'plain'
mixing_beta = 0.70
conv_thr = 1D-06
/
ATOMIC_SPECIES
Si 28.085 Si.pz-hgh.UPF
K_POINTS automatic
1 1 1 0 0 0
CELL_PARAMETERS (angstrom)
30.7206764221 0.0000000000 0.0000000000
15.3603364397 26.6048872257 0.0000000000
15.3603364397 8.8682950601 25.0833284677
ATOMIC_POSITIONS crystal
%%%%%%%%%%
*errors*
Abort(671693317) on node 2 (rank 2 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe7c808e28) failed
PMPI_Comm_free(85).: Null communicator
srun: Job step aborted: Waiting up to 32 seconds for job step to finish.
Abort(604584453) on node 4 (rank 4 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff54684228) failed
PMPI_Comm_free(85).: Null communicator
Abort(201931269) on node 55 (rank 55 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffb5d73228) failed
PMPI_Comm_free(85).: Null communicator
Abort(604584453) on node 29 (rank 29 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc11f603a8) failed
PMPI_Comm_free(85).: Null communicator
Abort(604677) on node 6 (rank 6 in comm 0): Fatal error in PMPI_Comm_free:
Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffe3ee30a8) failed
PMPI_Comm_free(85).: Null communicator
Abort(336148997) on node 1 (rank 1 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff40805828) failed
PMPI_Comm_free(85).: Null communicator
Abort(269040133) on node 3 (rank 3 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffca9146f28) failed
PMPI_Comm_free(85).: Null communicator
Abort(873019909) on node 5 (rank 5 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffe52c1a28) failed
PMPI_Comm_free(85).: Null communicator
PMPI_Comm_free(85).: Null communicator
Abort(67713541) on node 12 (rank 12 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe32fbf328) failed
PMPI_Comm_free(85).: Null communicator
Abort(873019909) on node 14 (rank 14 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc649f9ca8) failed
PMPI_Comm_free(85).: Null communicator
Abort(537475589) on node 13 (rank 13 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe15cbaa28) failed
PMPI_Comm_free(85).: Null communicator
Abort(873019909) on node 15 (rank 15 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffffc29d928) failed
PMPI_Comm_free(85).: Null communicator
Abort(604677) on node 21 (rank 21 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd23c5d6a8) failed
PMPI_Comm_free(85).: Null communicator
Abort(403257861) on node 20 (rank 20 in comm 0): Fatal error in
PMPI_Comm_free: Invalid
PMPI_Comm_free(85).: Null communicator
Abort(201931269) on node 19 (rank 19 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffdb5e63428) failed
PMPI_Comm_free(85).: Null communicator
slurmstepd: error: *** STEP 2016210.0 ON node-146 CANCELLED AT
2024-08-22T11:20:37 ***
Abort(671693317) on node 28 (rank 28 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
Abort(336148997) on node 30 (rank 30 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd8c4427a8) failed
PMPI_Comm_free(85).: Null communicator
Abort(1007237637) on node 38 (rank 38 in comm 0): Fatal error in
PMPI_Comm_free: Invalid communicator, error stack:
PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc5033b928) failed
PMPI_Comm_free(85).: Null communicator
srun: error: node-149: tasks 25,27,29,31,33,35: Killed
srun: error: node-150: tasks 48-71: Killed
srun: error: node-146: tasks 1,3,5,7,9,11: Killed
srun: error: node-146: tasks 0,2,4,6,8,10,12-23: Killed
srun: error: node-149: tasks 24,26,28,30,32,34,36-47: Killed
%%%%%%%%%%%%%%%%%%%%%%%
Best
M J Hasan
PhD student
Mechanical Engineering
University of Maine
Abort(671693317) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe7c808e28) failed PMPI_Comm_free(85).: Null communicator srun: Job step aborted: Waiting up to 32 seconds for job step to finish. Abort(604584453) on node 4 (rank 4 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff54684228) failed PMPI_Comm_free(85).: Null communicator Abort(201931269) on node 55 (rank 55 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffb5d73228) failed PMPI_Comm_free(85).: Null communicator Abort(604584453) on node 29 (rank 29 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc11f603a8) failed PMPI_Comm_free(85).: Null communicator Abort(604677) on node 6 (rank 6 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffe3ee30a8) failed PMPI_Comm_free(85).: Null communicator Abort(336148997) on node 1 (rank 1 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff40805828) failed PMPI_Comm_free(85).: Null communicator Abort(269040133) on node 3 (rank 3 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffca9146f28) failed PMPI_Comm_free(85).: Null communicator Abort(873019909) on node 5 (rank 5 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffe52c1a28) failed PMPI_Comm_free(85).: Null communicator Abort(738802181) on node 7 (rank 7 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc8f741828) failed PMPI_Comm_free(85).: Null communicator Abort(873019909) on node 10 (rank 10 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc9fc77428) failed PMPI_Comm_free(85).: Null communicator Abort(269040133) on node 11 (rank 11 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffdf31f428) failed PMPI_Comm_free(85).: Null communicator Abort(67713541) on node 12 (rank 12 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe32fbf328) failed PMPI_Comm_free(85).: Null communicator Abort(873019909) on node 14 (rank 14 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc649f9ca8) failed PMPI_Comm_free(85).: Null communicator Abort(537475589) on node 13 (rank 13 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe15cbaa28) failed PMPI_Comm_free(85).: Null communicator Abort(873019909) on node 15 (rank 15 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffffc29d928) failed PMPI_Comm_free(85).: Null communicator Abort(604677) on node 21 (rank 21 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd23c5d6a8) failed PMPI_Comm_free(85).: Null communicator Abort(403257861) on node 20 (rank 20 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffef8f1d228) failed PMPI_Comm_free(85).: Null communicator Abort(67713541) on node 22 (rank 22 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc4d195128) failed PMPI_Comm_free(85).: Null communicator Abort(604677) on node 23 (rank 23 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffddfd41c28) failed PMPI_Comm_free(85).: Null communicator Abort(201931269) on node 19 (rank 19 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffdb5e63428) failed PMPI_Comm_free(85).: Null communicator slurmstepd: error: *** STEP 2016210.0 ON node-146 CANCELLED AT 2024-08-22T11:20:37 *** Abort(671693317) on node 28 (rank 28 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe0f1b4b28) failed PMPI_Comm_free(85).: Null communicator Abort(671693317) on node 31 (rank 31 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff249169a8) failed PMPI_Comm_free(85).: Null communicator Abort(470366725) on node 37 (rank 37 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd619266a8) failed PMPI_Comm_free(85).: Null communicator Abort(336148997) on node 30 (rank 30 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd8c4427a8) failed PMPI_Comm_free(85).: Null communicator Abort(1007237637) on node 38 (rank 38 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc5033b928) failed PMPI_Comm_free(85).: Null communicator srun: error: node-149: tasks 25,27,29,31,33,35: Killed srun: error: node-150: tasks 48-71: Killed srun: error: node-146: tasks 1,3,5,7,9,11: Killed srun: error: node-146: tasks 0,2,4,6,8,10,12-23: Killed srun: error: node-149: tasks 24,26,28,30,32,34,36-47: Killed Abort(604677) on node 3 (rank 3 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff1e19d1a8) failed PMPI_Comm_free(85).: Null communicator Abort(269040133) on node 5 (rank 5 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd844b4d28) failed PMPI_Comm_free(85).: Null communicator Abort(805911045) on node 7 (rank 7 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffef2ceb0a8) failed PMPI_Comm_free(85).: Null communicator Abort(604677) on node 1 (rank 1 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc45cc45a8) failed PMPI_Comm_free(85).: Null communicator Abort(1007237637) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc61b9b3a8) failed PMPI_Comm_free(85).: Null communicator Abort(134822405) on node 4 (rank 4 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc7eeab528) failed PMPI_Comm_free(85).: Null communicator Abort(403257861) on node 6 (rank 6 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff691ebda8) failed PMPI_Comm_free(85).: Null communicator Abort(336148997) on node 10 (rank 10 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffd8de2b28) failed PMPI_Comm_free(85).: Null communicator Abort(537475589) on node 11 (rank 11 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff54773228) failed PMPI_Comm_free(85).: Null communicator Abort(537475589) on node 13 (rank 13 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe80c658a8) failed PMPI_Comm_free(85).: Null communicator Abort(537475589) on node 14 (rank 14 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc93806e28) failed PMPI_Comm_free(85).: Null communicator Abort(604584453) on node 12 (rank 12 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff7e23c928) failed PMPI_Comm_free(85).: Null communicator Abort(671693317) on node 15 (rank 15 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffa4ca0528) failed PMPI_Comm_free(85).: Null communicator Abort(470366725) on node 20 (rank 20 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffdb22bcca8) failed PMPI_Comm_free(85).: Null communicator Abort(269040133) on node 22 (rank 22 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe46d6e1a8) failed PMPI_Comm_free(85).: Null communicator Abort(1007237637) on node 23 (rank 23 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffdf13a29a8) failed PMPI_Comm_free(85).: Null communicator Abort(470366725) on node 21 (rank 21 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffcaa5017a8) failed PMPI_Comm_free(85).: Null communicator Abort(470366725) on node 19 (rank 19 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffab4b2aa8) failed PMPI_Comm_free(85).: Null communicator Abort(403257861) on node 29 (rank 29 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd71c77c28) failed PMPI_Comm_free(85).: Null communicator Abort(738802181) on node 55 (rank 55 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff96bdf428) failed PMPI_Comm_free(85).: Null communicator srun: Job step aborted: Waiting up to 32 seconds for job step to finish. slurmstepd: error: *** STEP 2016210.1 ON node-146 CANCELLED AT 2024-08-22T11:27:22 *** Abort(604677) on node 28 (rank 28 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffed1e6da28) failed PMPI_Comm_free(85).: Null communicator Abort(873019909) on node 31 (rank 31 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffcaefc0fa8) failed PMPI_Comm_free(85).: Null communicator Abort(134822405) on node 37 (rank 37 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffcbf29c4a8) failed PMPI_Comm_free(85).: Null communicator Abort(940128773) on node 30 (rank 30 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc5c5c33a8) failed PMPI_Comm_free(85).: Null communicator Abort(403257861) on node 38 (rank 38 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd3833e7a8) failed PMPI_Comm_free(85).: Null communicator Abort(671693317) on node 39 (rank 39 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffcc801d2a8) failed PMPI_Comm_free(85).: Null communicator srun: error: node-150: tasks 48-71: Killed srun: error: node-149: tasks 25,27,29,31,33,35: Killed srun: error: node-146: tasks 1,3,5,7,9,11: Killed srun: error: node-146: task 21: Killed srun: error: node-149: tasks 24,26,28,30,32,34,36-47: Killed srun: error: node-146: tasks 0,2,4,6,8,10,12-20,22-23: Killed Abort(873019909) on node 6 (rank 6 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff4a1b3628) failed PMPI_Comm_free(85).: Null communicator Abort(470366725) on node 1 (rank 1 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffcc8475da8) failed PMPI_Comm_free(85).: Null communicator Abort(269040133) on node 3 (rank 3 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc64e39028) failed PMPI_Comm_free(85).: Null communicator Abort(336148997) on node 5 (rank 5 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff2bee3828) failed PMPI_Comm_free(85).: Null communicator Abort(805911045) on node 7 (rank 7 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff773f8ba8) failed PMPI_Comm_free(85).: Null communicator Abort(604584453) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff99d1dca8) failed PMPI_Comm_free(85).: Null communicator Abort(134822405) on node 4 (rank 4 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffdcfde3c28) failed PMPI_Comm_free(85).: Null communicator Abort(336148997) on node 10 (rank 10 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffdd09e6328) failed PMPI_Comm_free(85).: Null communicator Abort(604677) on node 11 (rank 11 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffdb812eea8) failed PMPI_Comm_free(85).: Null communicator Abort(805911045) on node 12 (rank 12 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe23a56aa8) failed PMPI_Comm_free(85).: Null communicator Abort(1007237637) on node 13 (rank 13 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffcd96e96a8) failed PMPI_Comm_free(85).: Null communicator Abort(940128773) on node 14 (rank 14 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe023ea9a8) failed PMPI_Comm_free(85).: Null communicator Abort(470366725) on node 15 (rank 15 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffcfc682a8) failed PMPI_Comm_free(85).: Null communicator Abort(604584453) on node 20 (rank 20 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe6fcf5d28) failed PMPI_Comm_free(85).: Null communicator Abort(604584453) on node 21 (rank 21 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe1dd98428) failed PMPI_Comm_free(85).: Null communicator Abort(671693317) on node 22 (rank 22 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff29b86328) failed PMPI_Comm_free(85).: Null communicator Abort(470366725) on node 23 (rank 23 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fffec7c7ca8) failed PMPI_Comm_free(85).: Null communicator Abort(604677) on node 19 (rank 19 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffcc2e6eb28) failed PMPI_Comm_free(85).: Null communicator Abort(1007237637) on node 29 (rank 29 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffdf4dd3028) failed PMPI_Comm_free(85).: Null communicator srun: Job step aborted: Waiting up to 32 seconds for job step to finish. Abort(604584453) on node 55 (rank 55 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff25c013a8) failed PMPI_Comm_free(85).: Null communicator slurmstepd: error: *** STEP 2016210.2 ON node-146 CANCELLED AT 2024-08-22T11:34:39 *** Abort(873019909) on node 28 (rank 28 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe1f89f5a8) failed PMPI_Comm_free(85).: Null communicator Abort(537475589) on node 31 (rank 31 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff73c4e7a8) failed PMPI_Comm_free(85).: Null communicator Abort(67713541) on node 37 (rank 37 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc30f7a728) failed PMPI_Comm_free(85).: Null communicator Abort(134822405) on node 30 (rank 30 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe270d9128) failed PMPI_Comm_free(85).: Null communicator Abort(873019909) on node 38 (rank 38 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack: PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff0237dba8) failed PMPI_Comm_free(85).: Null communicator srun: error: node-150: tasks 48-71: Killed srun: error: node-149: tasks 25,27,29,31,33,35: Killed srun: error: node-146: task 21: Killed srun: error: node-146: tasks 1,3,5,7,9,11: Killed srun: error: node-146: task 20: Killed srun: error: node-149: tasks 24,26,28,30,32,34,36-47: Killed srun: error: node-146: tasks 0,2,4,6,8,10,12-19,22-23: Killed Convergence test results saved to energy_convergence_2.dat
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