[Wien] Parallel lapw1 bug, WIEN2K_12?

[Laurence Marks]

It is hard to know exactly, but it looks like there is something not
correct with your combination of machine file and/or how
parallel_options is setup and/or communications. The message
"/home/dp3/CoSi not found" indicates some bash/OS issue that has no
connection to the compilation options.

Suggestions:

a) Remove the ":1" from the machines file, as it might get in the way.
b) Compare parallel_options in the two versions
c) Check that everything is OK for "ssh node014"
d) Check how the variable remote is defined in the two cases -- for
instance by doing a grep on it in lapw1para for the two cases.

On Mon, Aug 6, 2012 at 9:24 AM, Parker, David S. <parkerds at ornl.gov> wrote:
> Dear all:
>
> I am experiencing a problem with the (k-point) parallel version of lapw1 in the newest WIEN2K, version 12.  lapw1 works fine in single processor mode but when
> I go to run lapw1 -p I get the error messages below.
>
> I was using the 2010 version of WIEN2K and did not have these problems. Any ideas? Thanks in advance for your help - David Parker
>
> dp3 at head:CoSi$ x lapw1 -p
> starting parallel lapw1 at Mon Aug  6 10:50:10 EDT 2012
> ->  starting parallel LAPW1 jobs at Mon Aug  6 10:50:10 EDT 2012
> running LAPW1 in parallel mode (using .machines)
> 4 number_of_parallel_jobs
> [1] 15388
> bash: line 0: cd: /home/dp3/CoSi: No such file or directory
> LAPW1 - Error
> [1]  + Done                          ( ( $remote $machine[$p]  ...
> [1] 15413
> bash: line 0: cd: /home/dp3/CoSi: No such file or directory
> LAPW1 - Error
> [1]  + Done                          ( ( $remote $machine[$p]  ...
> [1] 15438
> bash: line 0: cd: /home/dp3/CoSi: No such file or directory
> LAPW1 - Error
> [1]  + Done                          ( ( $remote $machine[$p]  ...
> [1] 15463
> bash: line 0: cd: /home/dp3/CoSi: No such file or directory
> LAPW1 - Error
> [1]  + Done                          ( ( $remote $machine[$p]  ...
> [1] 15489
> bash: line 0: cd: /home/dp3/CoSi: No such file or directory
> LAPW1 - Error
> [1]  + Done                          ( ( $remote $machine[$p]  ...
> [1] 15514
> bash: line 0: cd: /home/dp3/CoSi: No such file or directory
> LAPW1 - Error
> [1]  + Done                          ( ( $remote $machine[$p]  ...
> [1] 15539
> bash: line 0: cd: /home/dp3/CoSi: No such file or directory
> LAPW1 - Error
> [1]  + Done                          ( ( $remote $machine[$p]  ...
>      node014(2) 0.000u 0.004s 0.01 0.00%      0+0k 0+0io 0pf+0w
>      node014(2) 0.004u 0.004s 0.00 88.89%      0+0k 0+0io 0pf+0w
>      node014(2) 0.000u 0.004s 0.01 0.00%      0+0k 0+0io 0pf+0w
>      node014(2) 0.008u 0.004s 0.01 120.00%      0+0k 0+0io 0pf+0w
>      node014(1) 0.004u 0.000s 0.01 40.00%      0+0k 0+0io 0pf+0w
>      node014(1) 0.004u 0.008s 0.05 22.64%      0+0k 0+0io 0pf+0w
>      node014(1) 0.000u 0.008s 0.02 0.00%      0+0k 0+0io 0pf+0w
> CoSi.scf1_1: No such file or directory.
>    Summary of lapw1para:
>    node014       k=11    user=0.02       wallclock=278.13
>
> Here are the settings from the options file, I am using Ifort11.1
>
> 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 -DFFTW3
> current:LDFLAGS:$(FOPT) -L/opt/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:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 -L/opt/local/fftw3/lib/ -lfftw3_mpi -lfftw3 $(R_LIBS)
> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>
>
> Here is the .machines file
> #
> granularity:1
> 1:node014:1
> 1:node014:1
> 1:node014:1
> 1:node014:1
> extrafine:1
>
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-- 
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