Thank you Gavin the "unmatched" message has gone.
Sincerely Bhamu On Wed, Dec 28, 2016 at 6:32 PM, Gavin Abo <gs...@crimson.ua.edu> wrote: > No, you do not need to recompile. That is because x_lapw is a C shell [ > https://en.wikipedia.org/wiki/C_shell ] script. > > It should be easy to apply x_lapw.patch, for example, in a terminal: > > username@computername:~/Desktop$ cd $WIENROOT > username@computername:~/WIEN2k$ wget https://raw.githubusercontent. > com/gsabo/WIEN2k-Patches/master/16.1/x_lapw.patch > ... > username@computername:~/WIEN2k$ patch -b x_lapw x_lapw.patch > patching file x_lapw > > Yes, x_lapw.patch shows only one change. No, it doesn't replace "l" by > "1" in line number 2583. The original WIEN2k 16.1 x_lapw has three lines, > lines 2581 through 2583. The patch removes the bashslash (\) from lines > 2581 and 2582. Then, the three lines (2581-2583) are combined into one > line (2581). > > On 12/28/2016 2:02 AM, Dr. K. C. Bhamu wrote: > > Thank you Gavin, > > I am also getting same message on Ubuntu 16.04. > > I see only one change, you replaced "l" by "1" in line number 2583. > Should we recompile all lapw* after this change? > > Sincerely > Bhamu > > > On Wed, Dec 28, 2016 at 1:44 PM, Gavin Abo <gs...@crimson.ua.edu> wrote: > >> In case others encounter the same problem, an Unmatched ". error appeared in >> WIEN2k 16.1 during the scf cycles when using run_lapw or run_lapw -p >> (k-point parallel mode), which appeared just before CORE END on a >> computer. The source of the error was tracked down to x_lapw. An echo is >> used to create a string that is piped to bc for calculating eferm. The >> string is broken over multiple lines with a backslash (\) for an escape or >> line continuation character. Something about the particular system that >> I'm using [Ubuntu 64 bit 14.04 LTS; bc 1.06.95; echo (GNU coreutils) 8.21; >> csh 20110502-2ub] is not able to translate it as I suspect that it is >> working fine for others. After recombining the string into a single line, >> it was able to calculate the eferm variable value correctly again and the >> unmatched error went away. >> >> If someone else wants to try it out, I put the patch file (x_lapw.patch) >> at: >> >> https://github.com/gsabo/WIEN2k-Patches/tree/master/16.1 >> > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > >
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