What are you using in parallel_options? The statement: "parallel option file: # setenv WIEN_MPIRUN "srun -K1 _EXEC_" Because of compatible issues, we don't use srun by commented the WIEN_MPIRUN line in parallel option file and use the mpirun directly." is ambiguous.
What mpi? _____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu On Tue, Jul 21, 2020, 05:48 MA Weiliang <[email protected]> wrote: > Dear WIEN2K users, > > The cluster we used is a memory shared system with 16 cpus per node. The > calculation distributed in 2 nodes with 32 cpus. But actually all the mpi > processes were running in the first node according to the attached top > ouput. There were not processes in the second nodes. As you can see, the > usage of cpu is around 50%. It seemes that the calculation didn't > distribute in 2 nodes, but only splitted the fisrt node (16 cpus) into 32 > prcesses with half computing power. > > Do you have any ideas for this problem? The .machines, wien2k info, > dayfile and job output are attached below. Thank you! > > Best, > Weiliang > > > #========================================# > # output of top > #----------------------------------------# > PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND > 43504 mc 20 0 614m 262m 27m R 50.2 0.3 21:45.54 lapw1c_mpi > 43507 mc > > granularity:1 > extrafine:1 > > > #========================================# > # wien2k info > #----------------------------------------# > wien2k version: 18.2 > complier: ifort, icc, mpiifort (intel 2017 compliers) > parallel option file: # setenv WIEN_MPIRUN "srun -K1 _EXEC_" > Because of compatible issues, we don't use srun by commented the > WIEN_MPIRUN line in parallel option file and use the mpirun directly. > > > _______________________________________________ > Wien mailing list > [email protected] > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!Gk4SRyFbT0Rr2V8RvIKpCWwNVxEaIwZmJwfybYs-iLIsOTo1L_GQr62ya-ECZy_n7wJwFg$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/[email protected]/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Gk4SRyFbT0Rr2V8RvIKpCWwNVxEaIwZmJwfybYs-iLIsOTo1L_GQr62ya-ECZy_rM73t9Q$ >
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