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 to
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 th
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
restricti
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: MPI
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 w
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.
Or
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, n=3
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 s
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