[Wannier] Wannier90 for OpenVMS
Jouk Jansen
joukj at hrem.nano.tudelft.nl
Thu Apr 26 10:54:42 CEST 2012
Hi all,
I created a port of WANNIER90 for OpenVMS. Doing this I stumpbled on a
coding error (see below). Info on the port can be found at:
http://nchrem.tnw.tudelft.nl/openvms/software2.html#WANNIER
The patch file contains files of the following kinds:
descrip.mms : These are the OpenVMS variants of the makefiles
src/*.F90 : Changed some compiler directions (aliasses) to get the
right LAPACK routines linked in.
src/plot.F90 : In fortan when concatenating a string always the whole length
specified is used regardless the contents (not like C where
the character-0 terminates the string) Therfore some
concatenations were meaningless because the righthandside
of the equal sign conactenated something at a location
larger than the string at the lefthand-side.
I changed the code slightly to overcome the problem (marked
with #ifdef VMS ... #endif)
src/getarg.F90
src/iargc.F90 : Added OpenVMS-code for these non-standard functions
tests/*vms.pl : OpenVMS variant of the perl-script. Corrects for the fact
that filesyntax for OpenVMS is different.
Please feel free to include these changes into the next version of WANNIER90
Regards
Jouk
P.S.
I noticed in src/Plot.F90 strings containing "\0" . Is it realy menat to
contain "\0" or is this C-like code meant to include the 0 character? If it
is the latter, note that this is not garanteed to work for Fortran (i.e. it does
not on OpenVMS). the standard way to do this is the use of char(0). The same
hold for all other "special" characters.
JJ
Pax, vel iniusta, utilior est quam iustissimum bellum.
(free after Marcus Tullius Cicero (106 b.Chr.-46 b.Chr.)
Epistularum ad Atticum 7.1.4.3)
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Jouk Jansen
joukj at hrem.nano.tudelft.nl
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