Dear Prof. Peter Blaha and WIEN2k users, Then by run x lapw1 –p:
starting parallel lapw1 at Tue Apr 13 21:04:15 CEST 2021 -> starting parallel LAPW1 jobs at Tue Apr 13 21:04:15 CEST 2021 running LAPW1 in parallel mode (using .machines) 2 number_of_parallel_jobs [1] 14530 [e0467:14538] mca_base_component_repository_open: unable to open mca_btl_uct: libucp.so.0: cannot open shared object file: No such file or directory (ignored) WARNING: There was an error initializing an OpenFabrics device. Local host: e0467 Local device: mlx4_0 MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD with errorcode 0. NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them. -------------------------------------------------------------------------- [e0467:14567] 1 more process has sent help message help-mpi-btl-openib.txt / error in device init [e0467:14567] 1 more process has sent help message help-mpi-btl-openib.txt / error in device init [e0467:14567] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [warn] Epoll MOD(1) on fd 27 failed. Old events were 6; read change was 0 (none); write change was 2 (del): Bad file descriptor >Somewhere there should be some documentation how one runs an mpi job on your system. Only I found this: Before ordering a task, it should be encapsulated in an appropriate script understandable for the queue system, e.g .: /home/users/user/submit_script.sl Sample SLURM script: #! / bin / bash -l #SBATCH -N 1 #SBATCH --mem 5000 #SBATCH --time = 20:00:00 /sciezka/do/pliku/binarnego/plik_binarny.in> /sciezka/do/pliku/wyjsciowego.out To order a task to a specific queue, use the #SBATCH -p parameter, e.g. #! / bin / bash -l #SBATCH -N 1 #SBATCH --mem 5000 #SBATCH --time = 20:00:00 #SBATCH -p standard /sciezka/do/pliku/binarnego/plik_binarny.in> /siezka/do/pliku/wyjsciowego.out The task must then be ordered using the *sbatch* command sbatch /home/users/user/submit_script.sl *Ordering interactive tasks* Interactive tasks can be divided into two groups: · interactive task (working in text mode) · interactive task *Interactive task (working in text mode)* Ordering interactive tasks is very simple and in the simplest case it comes down to issuing the command below. srun --pty / bin / bash Sincerely yours, Leila Mollabashi On Wed, Apr 14, 2021 at 12:03 AM leila mollabashi <le.mollaba...@gmail.com> wrote: > Dear Prof. Peter Blaha and WIEN2k users, > > Thank you for your assistances. > > > At least now the error: "lapw0 not found" is gone. Do you understand > why ?? > > Yes, I think that because now the path is clearly known. > > >How many slots do you get by this srun command ? > > Usually I went to node with 28 CPUs. > > >Is this the node with the name e0591 ??? > > Yes, it is. > > >Of course the .machines file must be consistent (dynamically adapted) > > with the actual nodename. > > Yes, to do this I use my script. > > >When I use “srun --pty -n 8 /bin/bash” that goes to the node with 8 free > cores, and run x lapw0 –p then this happens: > > starting parallel lapw0 at Tue Apr 13 20:50:49 CEST 2021 > > -------- .machine0 : 4 processors > > [1] 12852 > > [e0467:12859] mca_base_component_repository_open: unable to open > mca_btl_uct: libucp.so.0: cannot open shared object file: No such file or > directory (ignored) > > [e0467][[56319,1],1][btl_openib_component.c:1699:init_one_device] error > obtaining device attributes for mlx4_0 errno says Protocol not supported > > [e0467:12859] mca_base_component_repository_open: unable to open > mca_pml_ucx: libucp.so.0: cannot open shared object file: No such file or > directory (ignored) > > LAPW0 END > > [1] Done mpirun -np 4 -machinefile .machine0 > /home/users/mollabashi/v19.2/lapw0_mpi lapw0.def >> .time00 > > Sincerely yours, > > Leila Mollabashi > > >
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