Also, and in general, if you are trying to track a problem comment out calls the W2kinit -- this routine can catch faults which is good for terminating mpi tasks, but can get in the way of debugging.
On Tue, Apr 9, 2013 at 7:12 PM, Gavin Abo <gs...@crimson.ua.edu> wrote: > In order to get traceback information in Mac OS X, I think you need to > use different debug settings as described at: > > http://software.intel.com/en-us/articles/using-the-idb-debugger-under-mac-os-x-107-lion/ > > > On 4/9/2013 5:34 PM, Anders Glans wrote: >> Dear wien2k community, >> >> I have been doing a series of calculations for platinum slabs. 3, 5, 7, and >> 9 layers go through without a hitch, but I get a Segmentation fault in lapw2 >> in the first iteration of an scf when attempting 11 layers. The slabs were >> created with structeditor, and all of them had 30 bohr vacuum. >> >> OS: Mac OS X 10.7.5, case sensitive file system, 18GB RAM. >> I am running version 12.1 of wien2k. >> Compiler: Intel ifort 13.3.171 with associated MKL >> >> The segfault happens both for k-point parallel and serial runs. >> >> I get the same result if I run through the web interface or command line, so >> an example of a typical run looks like: >> >> $ init_lapw -b -red 5 -rkmax 6 -numk 1000 >> ... >> $ x lapw0 >> LAPW0 END >> $ x lapw1 >> LAPW1 END >> $ x lapw2 >> Segmentation fault >> (time info) >> error: command /Users/Anders/WIEN2k_12/lapw2 lapw2.def failed >> >> >> My OPTIONS file: >> >> current:FOPT:-O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -g >> -traceback -check all >> current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 >> -traceback >> current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib -pthread >> current:DPARALLEL:'-DParallel' >> current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread >> -lmkl_core -openmp -lpthread -lm >> current:RP_LIBS:-L/opt/scalapack/lib/ -lscalapack -L/opt/fftw3/lib/ >> -lfftw3_mpi -lfftw3 $(R_LIBS) >> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ >> >> NMATMAX = 30000 >> NUME = 3000 >> >> By inserting write statements, I have figured out that the code makes it to >> just before the call to l2main in lapw2 (around line 570 in lapw2.F) -- a >> write statement directly after the declarations in l2main.F does not get >> printed. Even though I have -g -traceback in the compilation, I am uncertain >> how to extract the actual traceback information... >> >> Any help with figuring out what needs to be done to run this calculation >> would be much appreciated. >> >> Thank you, >> Anders Glans > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html