[Wien] siteconfig Wien2k 12.1

[Zhu, Jianxin]

Dear Peter, 

What do you mean by

set remotecp =           to vec2old_lapw

? 

Are you meaning that we add one line

set remotecp = 

with blank content on right of "="?

In the hfpara_lapw file, I see

...
  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
  ...


is already there.




Thanks, 

Jianxin







-----Original Message-----
From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Date: Thu, 27 Sep 2012 15:48:09 +0200
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] siteconfig Wien2k 12.1

>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
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>-- 
>Peter Blaha
>Inst.Materials Chemistry
>TU Vienna
>Getreidemarkt 9
>A-1060 Vienna
>Austria
>+43-1-5880115671
>_______________________________________________
>Wien mailing list
>Wien at zeus.theochem.tuwien.ac.at
>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien