[Wien] LAPW2 crashed when running in parallel
Maxim Rakitin
rms85 at physics.susu.ac.ru
Mon Nov 1 05:27:17 CET 2010
Dear Wei,
Maybe -machinefile is ok for your mpirun. Which options are appropriate
for it? What does help say?
Try to restore your MPIRUN variable with -machinefile and rerun the
calculation. Then see what is in .machine0/1/2 files and let us know. It
should contain 8 lines of r1i0n0 node and 8 lines of r1i0n1 node.
One more thing you should check is $WIENROOT/parallel_options file. What
is its content?
Best regards,
Maxim Rakitin
email: rms85 at physics.susu.ac.ru
web: http://www.susu.ac.ru
01.11.2010 9:06, Wei Xie пишет:
> Hi Maxim,
>
> Thanks for your reply!
> We tried MPIRUN=mpirun -np _NP_ -hostfile _HOSTS_ _EXEC_, but the
> problem persists. The only difference is that stdout changes to
> ''… MPI: invalid option -hostfile …''.
>
> Thanks,
> Wei
>
>
> On Oct 31, 2010, at 10:40 PM, Maxim Rakitin wrote:
>
>> Hi,
>>
>> It looks like Intel's mpirun doesn't have '-machinefile' option.
>> Instead of this it has '-hostfile' option (form here:
>> http://downloadmirror.intel.com/18462/eng/nes_release_notes.txt).
>>
>> Try 'mpirun -h' for information about options and apply appropriate.
>> Best regards,
>> Maxim Rakitin
>> email:rms85 at physics.susu.ac.ru
>> web:http://www.susu.ac.ru
>>
>> 01.11.2010 4:56, Wei Xie пишет:
>>> Dear all WIEN2k community members:
>>>
>>> We encountered some problem when running in parallel
>>> (K-point, MPI or both)--the calculations crashed at LAPW2. Note we
>>> had no problem running it in serial. We have tried to diagnose the
>>> problem, recompile the code with difference options and test with
>>> difference cases and parameters based on similar problems reported
>>> on the mail list, but the problem persists. So we write here hoping
>>> someone can offer us some suggestion. We have attached related files
>>> below for your reference. Your replies are appreciated in advance!
>>>
>>> This is a TiC example running in both Kpoint and MPI parallel on two
>>> nodes /r1i0n0/ and /r1i0n1/ (8cores/node):
>>>
>>> *1. **stdout **(abridged) *
>>> MPI: invalid option -machinefile
>>> real0m0.004s
>>> user0m0.000s
>>> sys0m0.000s
>>> ...
>>> MPI: invalid option -machinefile
>>> real0m0.003s
>>> user0m0.000s
>>> sys0m0.004s
>>> TiC.scf1up_1: No such file or directory.
>>>
>>> LAPW2 - Error. Check file lapw2.error
>>> cp: cannot stat `.in.tmp': No such file or directory
>>> rm: cannot remove `.in.tmp': No such file or directory
>>> *rm: cannot remove `.in.tmp1': No such file or directory*
>>> *
>>> *
>>> *2. TiC.dayfile (abridged) *
>>> ...
>>> start (Sun Oct 31 16:25:06 MDT 2010) with lapw0 (40/99 to go)
>>> cycle 1 (Sun Oct 31 16:25:06 MDT 2010) (40/99 to go)
>>>
>>> > lapw0 -p(16:25:06) starting parallel lapw0 at Sun Oct 31
>>> 16:25:07 MDT 2010
>>> -------- .machine0 : 16 processors
>>> invalid "local" arg: -machinefile
>>>
>>> 0.436u 0.412s 0:04.63 18.1%0+0k 2600+0io 1pf+0w
>>> > lapw1 -up -p (16:25:12) starting parallel lapw1 at Sun Oct 31
>>> 16:25:12 MDT 2010
>>> -> starting parallel LAPW1 jobs at Sun Oct 31 16:25:12 MDT 2010
>>> running LAPW1 in parallel mode (using .machines)
>>> 2 number_of_parallel_jobs
>>> r1i0n0 r1i0n0 r1i0n0 r1i0n0 r1i0n0 r1i0n0 r1i0n0 r1i0n0(1)
>>> r1i0n1 r1i0n1 r1i0n1 r1i0n1 r1i0n1 r1i0n1 r1i0n1 r1i0n1(1)
>>> r1i0n0 r1i0n0 r1i0n0 r1i0n0 r1i0n0 r1i0n0 r1i0n0 r1i0n0(1)
>>> Summary of lapw1para:
>>> r1i0n0 k=0 user=0 wallclock=0
>>> r1i0n1 k=0 user=0 wallclock=0
>>> ...
>>> 0.116u 0.316s 0:10.48 4.0%0+0k 0+0io 0pf+0w
>>> > lapw2 -up -p (16:25:34) running LAPW2 in parallel mode
>>> ** LAPW2 crashed!
>>> 0.032u 0.104s 0:01.13 11.5%0+0k 82304+0io 8pf+0w
>>> error: command /home/xiew/WIEN2k_10/lapw2para -up uplapw2.def failed
>>>
>>> *3. uplapw2.error *
>>> Error in LAPW2
>>> 'LAPW2' - can't open unit: 18
>>> 'LAPW2' - filename: TiC.vspup
>>> 'LAPW2' - status: old form: formatted
>>> ** testerror: Error in Parallel LAPW2
>>>
>>> *4. .machines*
>>> #
>>> 1:r1i0n0:8
>>> 1:r1i0n1:8
>>> lapw0:r1i0n0:8 r1i0n1:8
>>> granularity:1
>>> extrafine:1
>>>
>>> *5. compilers, MPI and options*
>>> Intel Compilers and MKL 11.1.046
>>> Intel MPI 3.2.0.011
>>>
>>> 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/usr/local/intel/Compiler/11.1/046/mkl/lib/em64t -pthread
>>> current:DPARALLEL:'-DParallel'
>>> current:R_LIBS:-lmkl_lapack -lmkl_intel_lp64 -lmkl_intel_thread
>>> -lmkl_core -openmp -lpthread -lguide
>>> current:RP_LIBS:-L/usr/local/intel/Compiler/11.1/046/mkl/lib/em64t
>>> -lmkl_scalapack_lp64
>>> /usr/local/intel/Compiler/11.1/046/mkl/lib/em64t/libmkl_solver_lp64.a -Wl,--start-group
>>> -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
>>> -lmkl_blacs_intelmpi_lp64 -Wl,--end-group -openmp -lpthread
>>> -L/home/xiew/fftw-2.1.5/lib -lfftw_mpi -lfftw $(R_LIBS)
>>> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>>>
>>> Best regards,
>>> Wei Xie
>>> Computational Materials Group
>>> University of Wisconsin-Madison
>>>
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
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