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