Try fewer MPI threads (-np parameter) than 8 or compile with openmp and set -np 1 but play with OMP_NUM_THREADS environmental variable.
Overall, seems like you have problems with memory per MPI process -- it's hard to say without knowing of the details of your calculations. Ultimately, you might NOT be able to complete calculations on your machine -- you'll need to go to a small cluster, e.g. 32 nodes each of those has, let say, 32-64 GiB of RAM -- Ilya On Sat, Dec 23, 2017 at 1:58 AM, Amar Singh <[email protected]> wrote: > Dear Friends, > I am trying a vc-relax on a 320 atom supercell on a 40 processor/256 GB > RAM system. As soon as the first iteration starts, run is terminated with > following message. > *mpi has noticed that process rank 14 with PID 25185 n node Linux-mix > excited on signal 9 (killed).* > > With increasing numbers of processors (8 - 160), "Estimated total > allocated dynamic RAM" is increasing and reached to >450 GB. But problem > remains same, and run fails with same error message. Besides, for smaller > supercells (10 - 40 atoms), this problem does not appear at all. > Will appreciate any suggestion. Thanks Amar > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- ******************************************************* Ilya Ryabinkin Postdoctoral Scholar Physical and Environmental Sciences University of Toronto Scarborough http://www.utsc.utoronto.ca/~aizmaylov/Members.html *******************************************************
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