[Wien] Parallel lapw1 bug, WIEN2K_12?

Parker, David S. parkerds at ornl.gov
Mon Aug 6 16:24:39 CEST 2012


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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