[Wien] issue with doing structure minimization on MacPro workstation

[Jian-Xin Zhu]

Dear Peter and Wien2k users,

It might be of interest to you.
 
On Mac Pro Workstation, when we tried the command 
 
 run_lapw -fc 1 -p

(in relation to the minimization of internal parameters), 

it came out the following error

LAPW0 END
(standard_in) 1: illegal character: T
(standard_in) 1: illegal character: O
(standard_in) 1: illegal character: R
(standard_in) 1: illegal character: P
(standard_in) 1: illegal character: W
(standard_in) 2: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
(standard_in) 1: parse error
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END
 LAPW1 END

We noticed there is a file case.inM involved in the "-fc" section of run_lapw script file 

while ($iatom <= $natom)                #cycle over all atoms 
  set itest=$iatom
  @ itest ++
  testinput     $file.inM cont_force_test
    set atest=`head -$itest $file.inM |tail -1`
    set itest=`echo " $atest[1] + $atest[2] + $atest[3]"|bc`
    if ( $itest == '0' ) goto skipforce
  cont_force_test:
  if ($iatom <= 9) then
      set test = (`$bin/testconv -p :FOR00$iatom -c $fcut -f test_forces`)
  else if ($iatom <= 99) then
      set test = (`$bin/testconv -p :FOR0$iatom -c $fcut -f test_forces`)
  else
      set test = (`$bin/testconv -p :FOR$iatom -c $fcut -f test_forces`)
  endif
  if  !($test[1]) set ftest[1] = 0
  set ftest[2] = $test[2]
  set ftest    = ($ftest $test[3] $test[4])
skipforce:
  @ iatom ++
end

In the same working directory, there is another file case.inm existing for a different purpose.
 
Therefore, we suspect that these errors might be related to the fact that Mac OS X has no differentiation between 
the lower and upper case in file naming.
Please let me know if you can a different understanding. 

Regards,

-- 
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Jian-Xin Zhu, Ph.D
Theoretical Division, MS B262
Los Alamos National Laboratory
Los Alamos, New Mexico 87545
Phone: (505) 667 2363
Fax: (505) 665 4063
Email (main): jxzhu at lanl.gov
Email (backup): physjxzhu at gmail.com
URL: http://theory.lanl.gov
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