[Wien] Runtime problem with lapw1_mpi

[Laurence Marks]

Two comments:
a) I suggest using node-h18.storage.cluster:2 instead of the same node
twice (similarly 4), although this is not critical just cleaner.
b) "$F_PROG" is not a Wien2k script name, it must be something local
to your mpi. It looks like QLogic is a package and from their
documentation you are going to need to be careful about how you
compile, i.e. what options you use include the intel libraries and
which ones. If you use the wrong ones I have seen a segmentation fault
at line 39 of module.F which looks like what you have (a guess, but
probably a good one).

http://filedownloads.qlogic.com/files/software/77008/Users_Guide_QLogic_OFED_Host_Software_15_A2.pdf

2011/3/14 David Tompsett <dat36 at cam.ac.uk>:
> Dear All,
>
> I have recently been attempting to compile the MPI parallel version of the
> latest Wien2k. I have successfully generated binaries using ifort (MPI)
> comiler, linking with MKL 10.2 and FFTW 2. My system uses QLogic MPI.
>
> I started some small tests. My lapw0 runs well in parallel, but when lapw1
> starts I receive the following error:
> MPIRUN.node-h18: node-h18:0 node program unexpectedly quit: Exiting.
> sh: line 39:  5927 Segmentation fault      "$F_PROG" lapw1_1.def
>
> Can someone tell me what this $F_PROG" variable is? Any hints on what may be
> causing the issue are welcome.
>
> My .machines file looks like:
>
> lapw0: node-h18.storage.cluster node-h18.storage.cluster
> node-h18.storage.cluster node-h18.storage.cluster node-h17.storage.cluster
> node-h17.storage.cluster node-h17.storage.cluster node-h17.storage.cluster
> 1:node-h18.storage.cluster node-h18.storage.cluster
> 1:node-h18.storage.cluster node-h18.storage.cluster
> 1:node-h17.storage.cluster node-h17.storage.cluster
> 1:node-h17.storage.cluster node-h17.storage.cluster
> granularity:1
> extrafine:1
> lapw2_vector_split:1
>
> Many thanks,
> David Tompsett.
>
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>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering and imaging to study the structure of matter.