Dear all,
Thanks for replays. In the machine there is no problem to run k-point
parallelized calculations.
The .machines file for the MPI run has the form:
lapw0:localhost:4
1:localhost:4
2:localhost:4
hf:localhost:4
granularity:1
It is a Debian system with sym link /bin/csh -
Dear Wien2k users,
We are running recent version of Wien2k v13.1 in k-point
parallelization. To perform
screened HF we believe that MPI parallelization would speed up our calculations.
The calculations are intended for test reasons to be run on a local
multicore maschine.
Our .machines file
Hi,
I don't know what is the problem, but I can just say that
in .machines there is no line specific for the HF module.
If lapw1 and lapw2 are run in parallel, then this will be the same for hf.
F. Tran
On Tue, 22 Oct 2013, Martin Gmitra wrote:
Dear Wien2k users,
We are running recent
This here appears to be the problem:
@: Expression Syntax.
lapw1cpara (or actually the lapw1para_lapw it links to) is a shell
script, and there appears to be a script syntax issue somewhere during
or after parsing of the .machines file (cf. the Extrafine unset
message printed shortly before).
Sorry, I misread F.Tran's response - the extraneous hf:localhost:4
line might indeed be sufficient to derail the echo|sed|awk machinery in
the script.
--
Dr. Martin Kroekermar...@ruby.chemie.uni-freiburg.de
c/o Prof.Dr. Caroline Roehr
Institut fuer Anorganische und Analytische Chemie
If the jobs are all on the same localhost, then they should all be set up
with the same speed:
lapw0:localhost:4
localhost:4
localhost:4
granularity:1
On Tue, Oct 22, 2013 at 2:21 AM, t...@theochem.tuwien.ac.at wrote:
Hi,
I don't know what is the problem, but I can just say that
in
Wrong syntax. You need a speed parameter. But of course, the speed should be
the same for shared memory:
1:localhost:4
1:localhost:4
Am 22.10.2013 18:42, schrieb Oliver Albertini:
If the jobs are all on the same localhost, then they should all be set up with
the same speed:
lapw0:localhost:4
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