[Wien] running k-point parallel across nodes

[Peter Blaha]

Of course you also have to have a common (NFS) filesystem.
This means, your data have to be in a certain directory, which must be 
exported on the server and mounted on the remote node under the same 
node (with rwx permissions)

test:
pwd
export PWD=`cwd`     (if not already set)
ssh nodeXX "cd $PWD;ls"

Then you need passwordless login, and (as you now have done ?) you must 
make sure that ssh transmits/accepts your current environment.



> To run k-point parallel across different nodes, is it enough to simply
> have w2k installed on all the nodes along with pw-less ssh? I have
> pw-less ssh working among the nodes, but when I try to run another
> kpoint on another node, the shell cannot find the executables:
>
> $ x lapw1 -p
> starting parallel lapw1 at Wed Oct 16 10:48:53 PDT 2013
> ->  starting parallel LAPW1 jobs at Wed Oct 16 10:48:53 PDT 2013
> running LAPW1 in parallel mode (using .machines)
> 2 number_of_parallel_jobs
> [1] 4653272
> [2] 3605022
> ksh: lapw1c:  not found.
> ksh: fixerror_lapw:  not found.
> ksh: /home/oliver/data/wiendir/benchmark/test_case:  not found.
> ksh: lapw1c:  not found.
> ksh: fixerror_lapw:  not found.
> [2]  - Done                 ( ( $remote $machine[$p]  ...
> [1]  + Done                 ( ( $remote $machine[$p]  ...
>       stblade01(1) 0.000u 0.000s 0.1 0.00%      0+0k 0+0io 0pf+0w
>       stblade02(1) 0.000u 0.000s 0 0.00%      0+0k 0+0io 0pf+0w
> test_case.scf1_1: A file or directory in the path name does not exist.
>     Summary of lapw1para:
>     stblade01     k=1     user=0  wallclock=6
>     stblade02     k=1     user=0  wallclock=0
> 0.1u 0.1s 0:02 8% 0+0k 0+0io 0pf+0w
>
> .machines:
> 1:stblade01
> 1:stblade02
>
> Sincerely,
>
> Oliver
>
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
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