[Wien] Problem running lapw1c_mpi

[Peter Blaha]

Mostlikely you have one of these stupid mpi setups, which do not propagate the
PATH.

I guess lapw0_mpi works, because in lapw0para there is a line:

...
#insert $WIENROOT, since some stupid mpi clusters don't propagate the PATH
set ttt=(`echo $mpirun | sed -e "s^_NP_^$number_per_job[1]^" -e "s^_EXEC_^$WIENROOT/${exe}_mpi ${def}.def^" -e "s^_HOSTS_^.machine1^"`)

while in lapw1para (lapw2para) it does not have the $WIENROOT:

              set ttt=(`echo $mpirun | sed -e "s^_NP_^$number_per_job[$p]^" -e "s^_EXEC_^${exe}_mpi ${def}_$loop.def^" -e "s^_HOSTS_^.machine[$p]^"`)

Try to insert  $WIENROOT/          in front of ${exe}_mpi
and let me know if this works.

Regards
> 
> I have a problem running the lapw1c_mpi program. The script runsp_lapw is
> not able to locate the file and gives an error as follows::
> 
> runsp_lapw -s lapw1c -i 40 -it -fc 10 -p
> MPI: altix: 0x46f6000040ca22aa: /bin/bash: exec: lapw1c_mpi: not found
> MPI: could not run executable (all_signal.c:206)
> cat: No match.
> 
> Whereas when i try:: 
> which lapw1c_mpi
> i get::
> ~/wien2k/wien_04_source/lapw1c_mpi
> 
> I am using the WIEN2k_04.10 (Release 8/10/2004) version.
> 
> and my .machines file is as follows::
> granularity:1
> 1:altix:2
> lapw0:altix altix
> 
> I am interested in doing only one k-point calculation for a supercell.
> 
> Can you tell me what i am doing wrong?
> 
> With regards,
> 
> Nandan.
> 
> 
> ******************************************************************************
> Nandan Tandon
> Research Student
> Department of Physics,
> University of Pune
> Pune-411007                             Tel.(O)5692678 ext 426
> MAHARASHTRA, INDIA.                     
> ******************************************************************************
> 
> 
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> 


                                      P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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