[Wien] Problems with mpi for Wien12.1

[Peter Blaha]

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
>
>
>
>
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>

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671