Commit Graph

23 Commits

Author SHA1 Message Date
giannozz 96dc62d97e Just in case: "attr" is always set to something if present
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12092 c92efa57-630b-4861-b058-cf58834340f0
2016-02-03 10:04:32 +00:00
marsamos 249c40d425 multiple definition of lxmlinput_loc was causing neb to crash with input xml
now solved


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11235 c92efa57-630b-4861-b058-cf58834340f0
2014-10-21 10:35:16 +00:00
giannozz eb816192a8 Added error message
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10062 c92efa57-630b-4861-b058-cf58834340f0
2013-03-15 14:31:54 +00:00
giannozz d02bed64c7 Trying to figure out how to clean up the considerable mess with units ...
Input is easier: stdin is fixed to 5 and is used only to read from stdin;
if a file is opened, either xml or text, a different unit "qestdin" fixed
to 9 is used. The above applies ONLY to codes reading either the xml input 
file or the namelists+cards; all other read from unit 5 anyway, open unit 5
if reading from file. Shouldn't have any nonlocal consequences hopefully


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9932 c92efa57-630b-4861-b058-cf58834340f0
2013-02-04 21:42:18 +00:00
giannozz 1d08c091f0 Oops...leftover prints; make.depend updated; variable lxmlinput is intent(out)
since its input value is ignored (only its presence is checked)


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9920 c92efa57-630b-4861-b058-cf58834340f0
2013-02-02 21:21:34 +00:00
giannozz 2d58494592 1) Routine "read_input_file" modified so that it accepts the input file name
as an argument instead of reading it from command line. Input file name is
   read instead from command line at startup by mp_startup. 
2) Removed #ifdef __MPI before mp_startup (command line must be read in serial 
   execution as well)
3) Replaced calls to lower-level routines read_namelists, read_cards etc by a
   call to read_input_file in NEB
4) Unused routines removed
Note that the above changes affect only pw.x, cp.x, neb.x; in all other cases,
mp_startup is not executed in serial case (will be fixed sooner or later) and
the command line is still read (by a different routine) at a later stage.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9919 c92efa57-630b-4861-b058-cf58834340f0
2013-02-02 21:12:16 +00:00
giannozz 2e7ac5706b Misc I/O problems: some versions of gfortran still do not like iargc
declared as external; a file is accepted as xml if it ends with .xml
or .XML. What is the usage of "attr" by the way?


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9865 c92efa57-630b-4861-b058-cf58834340f0
2013-01-25 13:25:30 +00:00
giannozz f65a9a8684 More cleanup of redundant units etc. I have left in place the possibility
to open the xml file with a different unit from stdin, but it doesn't seem
to have any usefulness


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9850 c92efa57-630b-4861-b058-cf58834340f0
2013-01-23 20:33:33 +00:00
giannozz 64c1522651 More surprises from read/write: command-line option -i[nput] was read in
two different ways in two different routines ...


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9838 c92efa57-630b-4861-b058-cf58834340f0
2013-01-22 20:04:25 +00:00
giannozz 6dc558d2d6 Subroutine test_input_file converted to function, makes a more careful check
whether a file is xml or not; cleanup pf neb.f90


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9761 c92efa57-630b-4861-b058-cf58834340f0
2013-01-08 21:14:37 +00:00
giannozz 359f01fc56 First attempt to write the input data for generation into the
pseudopotential file - sems to work 


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9138 c92efa57-630b-4861-b058-cf58834340f0
2012-06-28 22:10:45 +00:00
marsamos 1335c3b4a1 length of read and write lines in open_input_file extended to 512 char, suggestion of Wiriwan Purwanto
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8649 c92efa57-630b-4861-b058-cf58834340f0
2012-02-15 07:45:09 +00:00
giannozz 0a6fd59a4c Cleanup of input file opening: removed calls to errore that would have hanged in parallel, temporary input file removed at the end
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8601 c92efa57-630b-4861-b058-cf58834340f0
2012-02-11 10:54:34 +00:00
dceresoli b5ebe9d25f 1. fixed path of 'environment variables'
2. pw.x didn't depend on modules
3. open the actual input_file, not 'input_tmp.in'



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8597 c92efa57-630b-4861-b058-cf58834340f0
2012-02-10 09:54:25 +00:00
giannozz 3be95060c3 Oops...the latest change didn't work at all
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8586 c92efa57-630b-4861-b058-cf58834340f0
2012-02-08 12:16:08 +00:00
giannozz 5efb9c7048 Input is copied into file input_tmp.in only if it is read from standard input;
there is no real reason to copy if the input is already read from file via the
-in, -inp, -input options


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8582 c92efa57-630b-4861-b058-cf58834340f0
2012-02-06 14:38:01 +00:00
dalcorso 6f5af3560b Bug fix: input lines longer than 80 characters were not treated correctly
with some compilers.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8117 c92efa57-630b-4861-b058-cf58834340f0
2011-08-28 11:29:15 +00:00
sbinnie 75d47e2970 Bugfix for open_close_input_file.f90 .
Variable input_file was not being initialized so in the case of pw.x being called with no additional arguemtns input being provided via stdin the uninitalized value of input_file was being written to output. The variable is now initalized as a null string and furthermore if stdin is used this is printed in the output.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7970 c92efa57-630b-4861-b058-cf58834340f0
2011-07-13 18:32:40 +00:00
giannozz 95bb96343c Useless message turned into something more useful. Cleanup.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7963 c92efa57-630b-4861-b058-cf58834340f0
2011-07-11 09:29:24 +00:00
giannozz 4214ad31bf Incorrect calls to errore again
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7938 c92efa57-630b-4861-b058-cf58834340f0
2011-07-05 13:55:46 +00:00
marsamos f83cfca2a0 open_input_file modified to automatically detect xml. There is no nedd
for arg -xmlinput now.
all routines calling find_free_unit or trimcheck have been
modified. 


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7926 c92efa57-630b-4861-b058-cf58834340f0
2011-07-04 15:27:16 +00:00
marsamos 123d45e8b8 added xml input + neb specific namelist (always inside input_parameters
and read_namelist) in Modules.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7107 c92efa57-630b-4861-b058-cf58834340f0
2010-09-29 14:16:57 +00:00
marsamos 33695abf83 added to Modules a module interf and 2 subroutines for
opening and closing the input file including get arg -xmlinput


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7103 c92efa57-630b-4861-b058-cf58834340f0
2010-09-28 14:27:15 +00:00