[Wien] Wien2k 12.1 testpara1_lapw & initso_lapw

[Gavin Abo]

Users, recently I provided a patch to testpara1_lapw.  It has been found 
that the patch is needed if your system uses a "csh" that doesn't have 
the function "-s file".  The "-s file" should be a function in "tcsh".  
So if your system uses an alias or symbolic link for "csh" that points 
to "tclsh", then the patch is not needed. Though, it can still be used 
as the patch changes "-s file" to "!(-z file)", which should work for 
both "csh" and "tcsh".

The same problem can also impact initso_lapw.

Attached is a patch for those using "csh".

Place attached initso_lapw.patch in $WIENROOT and run in a terminal:

patch -b initso_lapw initso_lapw.patch

On 3/8/2013 10:38 PM, Gavin Abo wrote:
> Users may test the following possible improvements to Wien2k 12.1.
>
> For "complex" calculations, testpara (under Utils. in w2web) and 
> testpara1 (in w2web or command line) gives the following error that I 
> believe it shouldn't give when a case.in1c exists and is not empty 
> (and contains K-VECTORS FROM UNIT:4):
>
>    K-Vectors must be read from unit 4
>    for parallel execution!
>    Change setting in case.in1!
>
> Place attached testpara.patch in $WIENROOT/SRC_w2web/htdocs/util and 
> run in a terminal:
>
> patch -b testpara.pl testpara.patch
>
> Place attached testpara1_lapw.patch in $WIENROOT and run in a terminal:
>
> patch -b testpara1_lapw testpara1_lapw.patch
>
> Best regards.

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<         if( -s $file.inc_so ) cp $file.inc_so $file.inc
<         if( -s $file.in2c_so ) cp $file.in2c_so $file.in2c
<         if(! -s $file.in2c_so &&  -s $file.in2_so ) cp $file.in2_so $file.in2c
<         if(! -s $file.in2c_so &&  -s $file.in2_so ) cp $file.in2_so $file.in2
<         if( -s $file.in1c_so ) cp $file.in1c_so $file.in1c
<         if( -s $file.in1_so ) cp $file.in1_so $file.in1
<         if( -s $file.clmsum_so ) cp $file.clmsum_so $file.clmsum
<         if( -s $file.clmup_so ) cp $file.clmup_so $file.clmup
<         if( -s $file.clmdn_so ) cp $file.clmdn_so $file.clmdn
<         if( -s $file.vspup_so ) cp $file.vspup_so $file.vspup
<         if( -s $file.vspdn_so ) cp $file.vspdn_so $file.vspdn
<         if( -s $file.vnsup_so ) cp $file.vnsup_so $file.vnsup
<         if( -s $file.vnsdn_so ) cp $file.vnsdn_so $file.vnsdn
<         if( -s $file.recprlist ) rm $file.recprlist
<         if( -s $file.indm || -s $file.indmc ) then
---
>         if( !(-z $file.inc_so) ) cp $file.inc_so $file.inc
>         if( !(-z $file.in2c_so) ) cp $file.in2c_so $file.in2c
>         if( (-z $file.in2c_so) &&  !(-z $file.in2_so) ) cp $file.in2_so $file.in2c
>         if( (-z $file.in2c_so) &&  !(-z $file.in2_so) ) cp $file.in2_so $file.in2
>         if( !(-z $file.in1c_so) ) cp $file.in1c_so $file.in1c
>         if( !(-z $file.in1_so) ) cp $file.in1_so $file.in1
>         if( !(-z $file.clmsum_so) ) cp $file.clmsum_so $file.clmsum
>         if( !(-z $file.clmup_so) ) cp $file.clmup_so $file.clmup
>         if( !(-z $file.clmdn_so) ) cp $file.clmdn_so $file.clmdn
>         if( !(-z $file.vspup_so) ) cp $file.vspup_so $file.vspup
>         if( !(-z $file.vspdn_so) ) cp $file.vspdn_so $file.vspdn
>         if( !(-z $file.vnsup_so) ) cp $file.vnsup_so $file.vnsup
>         if( !(-z $file.vnsdn_so) ) cp $file.vnsdn_so $file.vnsdn
>         if( !(-z $file.recprlist) ) rm $file.recprlist
>         if( !(-z $file.indm) || !(-z $file.indmc) ) then