Hard to say. What is in $WIENROOT/parallel_options ? MPI_REMOTE should be 0 !
Otherwise run lapw0_mpi by "hand": mpirun -np 4 $WIENROOT/lapw0_mpi lapw0.def (or including .machinefile .machine0) Am 24.08.2012 02:24, schrieb Paul Fons: > Greetings all, > I have compiled Wien2K 12.1 under OpenSuse 11.4 (and OpenSuse 12.1) > and the latest Intel compilers with identical mpi launch problems and I > am hoping for some suggestions as to where to look to fix things. Note > that the serial and k-point parallel versions of the code run fine (I > have optimized GaAs a lot in my troubleshooting!). > > Environment. > > I am using the latest intel fort, icc, and impi libraries for linux. > > matstud at pyxis:~/Wien2K> ifort --version > ifort (IFORT) 12.1.5 20120612 > Copyright (C) 1985-2012 Intel Corporation. All rights reserved. > > matstud at pyxis:~/Wien2K> mpirun --version > Intel(R) MPI Library for Linux* OS, Version 4.0 Update 3 Build 20110824 > Copyright (C) 2003-2011, Intel Corporation. All rights reserved. > > matstud at pyxis:~/Wien2K> icc --version > icc (ICC) 12.1.5 20120612 > Copyright (C) 1985-2012 Intel Corporation. All rights reserved. > > > My OPTIONS files from /siteconfig_lapw > > current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback > current:FPOPT:-I$(MKLROOT)/include/intel64/lp64 -I$(MKLROOT)/include -FR > -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 -traceback > current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread > current:DPARALLEL:'-DParallel' > current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread > -lmkl_core -openmp -lpthread > current:RP_LIBS:-L$(MKLROOT)/lib/intel64 > $(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a > $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a -lmkl_scalapack_lp64 > -lmkl_cdft_core -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core > -lmkl_blacs_intelmpi_lp64 -openmp -lpthread -lm -L/opt/local/fftw3/lib/ > -lfftw3_mpi -lfftw3 $(R_LIBS) > current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ > > > > > The code compiles and links without error. It runs fine in serial mode > and in k-point parallel mode, e.g. > > .machines with > > 1:localhost > 1:localhost > 1:localhost > granularity:1 > extrafine:1 > > This runs fine. When I attempt to run a mpi process with 12 processes > (on a 12 core machine), I crash and burn (see below) with a SIGSEV error > with instructions to contact the developers. > > The linking options were derived from Intel's mkl link advisor (the > version on the intel site. I should add that the mpi-bench in fftw3 > works fine using the intel mpi as do commands like hostname or even > abinit so it would appear that that the Intel MPI environment itself is > fine. I have wasted a lot of time trying to figure out how to fix this > before writing to the list, but at this point, I feel like a monkey at a > keyboard attempting to duplicate Shakesphere -- if you know what I mean. > Thanks in advance for any heads up that you can offer. > > > > .machines > > lapw0:localhost:12 > 1:localhost:12 > granularity:1 > extrafine:1 > >> stop error > > error: command /home/matstud/Wien2K/lapw0para -c lapw0.def failed > 0.029u 0.046s 0:00.93 6.4% 0+0k 0+176io 0pf+0w > Child id 2 SIGSEGV, contact developers > Child id 8 SIGSEGV, contact developers > Child id 7 SIGSEGV, contact developers > Child id 11 SIGSEGV, contact developers > Child id 10 SIGSEGV, contact developers > Child id 9 SIGSEGV, contact developers > Child id 6 SIGSEGV, contact developers > Child id 5 SIGSEGV, contact developers > Child id 4 SIGSEGV, contact developers > Child id 3 SIGSEGV, contact developers > Child id 1 SIGSEGV, contact developers > Child id 0 SIGSEGV, contact developers > -------- .machine0 : 12 processors >> lapw0 -p (09:04:45) starting parallel lapw0 at Fri Aug 24 09:04:45 JST >> 2012 > > cycle 1 (Fri Aug 24 09:04:45 JST 2012) (40/99 to go) > > start (Fri Aug 24 09:04:45 JST 2012) with lapw0 (40/99 to go) > > > using WIEN2k_12.1 (Release 22/7/2012) in /home/matstud/Wien2K > on pyxis with PID 15375 > Calculating GaAs in /usr/local/share/Wien2K/Fons/GaAs > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > -- Peter Blaha Inst.Materials Chemistry TU Vienna Getreidemarkt 9 A-1060 Vienna Austria +43-1-5880115671
