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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