[Wien] Question about parallel mode calculation

Dong YuHui dongyh at mail.ihep.ac.cn
Thu Apr 15 04:22:28 CEST 2004


Dear Wien users,
I want to launch the parallel calculation in a PC farm. However I can not 
get enough information about how to do it.
I run the k-point parallelization and fail. The dayfile reported:

Calculating ZnO_para in /home/wien2k/w2work/ZnO_para
on bsrf-serv.ihep.ac.cn

    start 	(Thu Apr 15 08:57:31 CST 2004) with lapw0 (20/20 to go)
>   lapw0 -p	(08:57:31) starting parallel lapw0 at Thu Apr 15 08:57:31 
CST 2004
--------
running lapw0 in single mode
3.760u 0.110s 0:03.86 100.2%	0+0k 0+0io 2052pf+0w
>   lapw1  -c -p 	(08:57:35) starting parallel lapw1 at Thu Apr 15 
08:57:35 CST 2004
->  starting parallel LAPW1 jobs at Thu Apr 15 08:57:35 CST 2004
running LAPW1 in parallel mode (using .machines)
1 number_of_parallel_jobs
**  LAPW1 crashed!
0.100u 0.140s 0:03.20 7.5%	0+0k 0+0io 10315pf+0w

>   stop error

STDOUT reported:
FORTRAN STOP  LAPW0 END
cat: No match.

testpara past, testpara1 failed.

I also checked the file lapw1para_lapw, and found
if ( $?WIEN_MPIRUN ) then
  set mpirun = "$WIEN_MPIRUN"
else
  set mpirun='mpirun -np _NP_ _EXEC_'
endif

I do not know how to define WIEN_MPIRUN. It seems essential for 
k-point parallelization. I also install mpich-1.2.5 and set
  setenv WIEN_MPIRUN /home/wien2k/mpi/mpich-1.2.5/bin/mpirun

before I set WIEN_MPIRUN, the program reported "/root/bin/mpirun: 
Permission denied", now no this message but testpara1 still fails.

Anybody have any suggestions or ideas about how to do? Many thanks.

Yu-Hui Dong





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