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. > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- 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.
