No, you don't need to consider symmetso as long as you use runsp_c_lapw
Am 10.05.2013 08:42, schrieb Francisco Garcia:
Dear users,
Suppose that I use runsp_c_lapw to constraint the spin magnetic moments to zero
(eg. non-magnetic eece calculation). If I add spin-orbit interaction by running
Wien2k User
I am trying to get the MPI capabilities of Wien running, but I got into some
complication.
The whole compilation process goes fine with no errors, but when I try to run
the code through run_lapw it stops at the begining of the lapw1 program with
the following error:
The addition of the signal trapping in Wien2k (W2kinit in lapw[0-2].F
and others) has a plus, and a minus. The pluses are that the weekly
emails on the list about ulimit associated crashes, and also (perhaps
not so obvious) that mpi tasks die more gracefully. Unfortunately it
also can make knowing
Hello again,
I commented the line call W2kinit, and now I have a more descriptive message
but I am still lost about it. Not sure if it's that its not finding some
libraries or if is that the environments variables are not being propagated to
all nodes.
forrtl: severe (174): SIGSEGV,
Hmmm, more information but not useful. I don't see anything obviously
wrong with what you are doing. Please regress to something simple
(e.g. TiC) -- I know if is not useful to run this with mpi but for a
test it is useful to verify things.
Also, check using
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