[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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