Actually, the real problem is that it is a very bad idea to use two separate input files that have names that only differ by having one character that is lower case in one case and that is upper case in the other. Besides causing havoc to the Mac unix version (which I believe is the more strict unix standard and hence will be the unix of the future), this is also dangerous just because of typos and other simpler concerns. Wien2k should migrate to newer versions that have input files that actually have different names for different files rather than relying on capitalization to distinguish them. It is a bad idea to try to be overly sophisticated by using capitalization. It is better to have names that are clearly distinct.
-- ******************************************** Robert C. Albers Physics of Condensed Matter& Complex Systems Theoretical Division Group T-4, MS B262 Los Alamos National Laboratory Los Alamos, NM 87545 E-mail: rca at lanl.gov Phone: (505)665-0417, Fax: (505)665-4063 ******************************************** On 9/7/11 3:13 PM, Laurence Marks wrote: > I think the answer is that you need to install a proper unix/linux, > for instance using a virtual box. > > Alternatively you can go in and edit (for yourself) x_lapw so it will > work for you, replacing all upper case names with lower case but I > don't expect anyone will be enthusiastic to help and I expect there to > be other problems. > > On Wed, Sep 7, 2011 at 3:56 PM, Jian-Xin Zhu<jxzhu at lanl.gov> wrote: >> 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, >> >> -- >> ############################### >> 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 >> ############################### >> >> >> >> >> >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> > >
