[Wien] siteconfig Wien2k 12.1

[Peter Blaha]

Thanks for the mail. I can confirm the problem.

i) It happens only for "shared memory" parallel configuration.
ii) It happens not only for vec2old_lapw, but also for hfpara_lapw !!!!

If you check siteconfig, a proper "fix" was already present for 
lapw1para and lapw2para:

sed -e "s/set remote .*"'$'"/set remote = $input/" <lapw1para_lapw >tmp

i.e. inserting a blank after the word "remote".

So one should change two lines in siteconfig_lapw like:

   sed -e "s/set remote .*"'$'"/set remote = $input/" <hfpara_lapw >tmp
..
   sed -e "s/set remote .*"'$'"/set remote = $input/" <vec2old_lapw >tmp

And as you mentioned, this helps only if you modify siteconfig_lapw 
BEFORE you run it the first time !

Thus in order to "fix" an existing "shared memory parallel" installation

make sure you add a line:

set remotecp =           to vec2old_lapw  and in hfpara_lapw you need:

...
  if ($mpiremote == 1) then
        set remotemachine = `head -1 .machine$mach[$loop]`
        ($remote $remotemachine "cd $PWD;$t $ttt $vector_split;rm -f 
.lock_$lockfile[$p]") >>.timehf_$loop &
        else
  ...





Am 27.09.2012 08:34, schrieb Gavin Abo:
> Dear Prof. Blaha,
>
> Wien2k 12.1 users might encounter the error:
>
> remotecp: Undefined variable
>
> When n is chosen for shared memory in the parallel setup, the
> siteconfig_lapw script changes "set remotecp" to "set remote" in the
> vec2old_lapw script.
>
> Can you please check if changing
>
> sed -e "s/set remote.*"'$'"/set remote = $input/" <vec2old_lapw >tmp
>
> to
>
> sed -e "s/set remote =.*"'$'"/set remote = $input/" <vec2old_lapw >tmp
>
> is the appropriate fix (i.e., adding the " =" after "set remote")?
>
> It is noted that the vec2old_lapw script after expanding the source
> files, but before running ./siteconfig, must be used for the above
> change to work.
>
> Thanks,
>
> Gavin
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671