[Wien] MPI run problem

[alonofrio at comcast.net]

Wien2k User 


I am trying to get the MPI capabilities of Wien running, but I got into some complication. 
The whole compilation process goes fine with no errors, but when I try to run the code through run_lapw it stops at the begining of the lapw1 program with the following error: 


w2k_dispatch_signal(): received: Segmentation fault 

MPI_ABORT was invoked on rank 7 in communicator MPI_COMM_WORLD 
with errorcode 28607820. 


NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. 
You may or may not see output from other processes, depending on 
exactly when Open MPI kills them. 
-------------------------------------------------------------------------- 
-------------------------------------------------------------------------- 
mpirun has exited due to process rank 7 with PID 60685 on 
node carter-a355.rcac.purdue.edu exiting without calling "finalize". This may 
have caused other processes in the application to be 
terminated by signals sent by mpirun (as reported here). 


This repeats the same number of times as the number of processors submitted as mpi jobs. 


Here are my complilation options as shown in the OPTIONS file: 



current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/em64t -pthread 
current:DPARALLEL:'-DParallel' 
current:R_LIBS:-lmkl_blas95_lp64 -lmkl_lapack95_lp64 $(MKLROOT)/lib/em64t/libmkl 
_scalapack_lp64.a -Wl,--start-group $(MKLROOT)/lib/em64t/libmkl_cdft_core.a $(MK 
LROOT)/lib/em64t/libmkl_intel_lp64.a $(MKLROOT)/lib/em64t/libmkl_intel_thread.a 
$(MKLROOT)/lib/em64t/libmkl_core.a $(MKLROOT)/lib/em64t/libmkl_blacs_intelmpi_lp 
64.a -Wl,--end-group -openmp -lpthread 
current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 -L/apps/ 
rhel6/fftw-3.3.1/openmpi-1.4.4_intel-12.0.084/lib -lfftw3_mpi -lfftw3 $(R_LIBS) 
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ 


and these are the options in the parallel_options file: 

setenv USE_REMOTE 1 
setenv MPI_REMOTE 0 
setenv WIEN_GRANULARITY 1 
setenv WIEN_MPIRUN "mpirun -x LD_LIBRARY_PATH -x PATH -np _NP_ 
-hostfile _HOSTS_ _EXEC_" 


I compiled the code with intel 12.0.084, openmpi 1.4.4 (compiled with intel 12.0.084) and fftw 3.3.1 (compiled with intel 12.0.084 and openmpi 1.4.4. 
I am trying to run the code in the university cluster which has infiniband and intel xeon-E5. 


I hope this information is enough for any of you to point me to the problem. 


Thanks so much for your time 


Alex Onofrio 
Departamento de Fisica 
Univesidad de Los Andes 
Bogota, Colombia 





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