Dear Rajiv,
It is impossible to answer your question, since we have no idea what kinds of
jobs you are trying to run (# of k-points, matrix size, memory requirements,
etc) or the capabilities of your cluster (e.g. I guess your nodes do not have
56 cores). It is best to work with your cluster
In a slightly related bug, my telnes3 isn't writing an E0 parameter when it
overwrites the case.inb file, which is now required. A. Yamaguchi below has
a valid case.inb, but I imagine it is adapted from SRC_templates after
telnes is run.
This results in an error in 'broadening.error':
'BROADE' -
The change in WIEN2k_17: "vec2old, vec2pratt: unalias mv in ssh commands"
causes extra warnings when running lapw1para for users of sh/bash/zsh shells
who do not have 'mv' aliased.
Samples warnings are: "bash: line 0: unalias: mv: not found" for bash or
"unalias: no such hash table element: mv"
Dear all,
I have noticed a bug with the combination of lapwso_mpi (WIEN2k 17.1) and
ifort 18.0.0 (20170811).
On a well-formed case that works properly when lapwso_mpi is compiled with
ifort 15.0.6, I get crashes on each process shortly after startup like the
following:
forrtl: severe (
t; to see if it happens already for the first atom.
>
> PS: Naively, I would have expected that it has to do with this -assume
> bufferedio which is (sometimes) broken in ifort17. And clearly, this
> file has been read before, then rewinded and then is read again.
>
> On 10/11
think the same file is already read previously in this code.
Am 11.10.2017 um 20:11 schrieb MCDERMOTT Eamon 250772:
> Neither of these suggestions help (I had tried error trapping as Prof. Marks
> had suggested already). More debugging just gets me more and more confused.
> I've inser
Fixed an initialization bug that was breaking lapwso_mpi under optimization.
--
Eamon
-Original Message-
From: Wien [mailto:wien-boun...@zeus.theochem.tuwien.ac.at] On Behalf Of
MCDERMOTT Eamon 250772
Sent: Monday, October 16, 2017 11:20
To: A Mailing list for WIEN2k users
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