x lapw1 -nmat_only
can be run quickly after init_lapw. It runs in fractions of seconds on
the frontend and just determines the matrix size and prints it into
case.nmat_only .
From the matrix size and the knowledge if you have inversion or not
(case.in1 or in1c) you can estimate the
When elpa is installed, it needs an extra flag --enable-openmp
Otherwise multiple threads are not supported.
In the tar ball of elpa is a file INSTALL.md which explains
clearly how to configure, compile and install elpa.
---
Anyway, if you do not have a
That might be an issue worth asking about over in the Spack Community [1].
Not sure if I'm interpreting the message correctly, but if I am, the
"@1.5.4:2" in the message from spack info I believe is indicating that
thread_multiple will be disabled unless OpenMPI version 1.5.4 [2] to 2
[3] is
Thanks for your answer;
so counting all these sizes (H,S, hpanel, spanel, spanelus...) is good way to
estimate memory per one thread.
Ad: "This guess indicates that you should be OK, but do your nodes really have
10Gb/core? That would be unusually large." Good point, there is some
Hello,
sorry for hidden link;
the point is that the "ompi_info -a | grep THREAD" says MPI_THREAD_MULTIPLE:
yes,
but "spack info openmpi@4.1.5" gives "thread_multiple [off] [@1.5.4:2] on, off
Enable MPI_THREAD_MULTIPLE support"
Maybe this is the case of the ELPA "WARNING elpa_setup:
If you look at the output you provided, each local copy of H and S is 3Gb.
Adding another 3Gb for luck suggests that you would need about 360 Gb,
assuming that you are only running on k-point with 36 cores.
This guess indicates that you should be OK, but do your nodes really have
10Gb/core? That
That is a private site, do I cannot read anything.
All I can suggest is doing a Google search on "missing
MPI_THREAD_MULTIPLE". It looks as if you have to enable this in openmpi
configure, although there might be some bugs. There could also be some
environmental parameters that need to be set.
Greetings,
I have the big system of
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22609.html .
After fixing the proper openmpi compilation of wien2k I proceed further into
the lapw1_mpi module. But here I got the error "xxmr2d:out of memory" for
SBATCH parameters N=1,
Dear Professor Marks,
concerning
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22621.html :
I am trying to find out why is ELPA module complaining of missing
MPI_THREAD_MULTIPLE .
We have a debate on this https://git.gsi.de/SDEGroup/SIR/-/issues/85#note_55392
If you
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