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FAQS
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FAQS
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(0) I am not able to install p4vasp. It does not work. Can you help me ?
Yes, I will try.
First - run the diagnostic.py script. It might help you to solve the most common problems.
Second - read the documentation, at least this file, you are reading just now.
Third - write me a bugreport. The bugreport should contain:
- the output of diagnostic.py (python diagnostic.py >diagnostic.txt),
- the standart output and error output (or copy of the console output)
- p4vasp.log, if it exists.
Please, do not flood the p4vasp forum with these long boring messages.
Either find the relevant part (the line where the error is described), or
send me these files as an e-mail attachment.
(1) P4vasp works, but I do not see the graphs in external windows.
The graph is probably just badly scaled.
Try to press "Pos 1" (or "Home") on the keyboard to scale the graph properly.
(2) p4v does not work, it shows the error message like:
Gdk-ERROR **: BadMatch (invalid parameter attributes)
serial 1463 error_code 8 request_code 66 minor_code
0
Gdk-ERROR **: BadMatch (invalid parameter attributes)
serial 1465 error_code 8 request_code 74 minor_code
0
This usually means, that you are in 16 bits per pixel mode or less.
P4v works reliably only in 24 (or 32) bits per pixel mode,
but not in 16 or 8. This is a very common problem
for many gdk-based programs and it is hard to fix it in p4v.
Solution: Configure your screen to 32 bpp.
(3) P4vasp window appears but I can't see any data, just empty graphs and black
structure window.
The data (vasprun.xml) are not loaded for some reason.
Check if the vasprun.xml file is not corrupted.
Vasp compiled with the Portland Group Fortran is known to have a problem
with the output.
For example it writes
<i type=""string"" nameSYSTEM"" ZnO bulk</i>
instead of
<i type="string" name="SYSTEM">ZnO bulk</i>
The easiest solution is to compile vasp with Intel Fortran Compiler (IFC),
which is a recommended compiler for the Linux-x86 platform.
The vasp executable should also have a slightly better performance,
than with PGF.
IFC can be downloaded from Intel for free for non-commercial use:
http://www.intel.com/software/products/compilers/flin/noncom.htm
If you can't do it for some reason, you should still be able to view
at least the structure from the POSCAR or CONTCAR file.
You can do it this way: chose File/Load system, then you chose the
DIRECTORY (not the file !),
where your POSCAR and possibly CONTCAR is (e.g. "./").
(4) The instalation fails with a lot of errors containing "FL", "WisFLWindow"
and things like that. It might look like this:
In file included from VisFLWindow.cpp:23:
include/p4vasp/VisFLWindow.h:26:29: FL/Fl_Gl_Window.H: No such file or directory
include/p4vasp/VisFLWindow.h:27:19: FL/gl.h: No such file or directory
In file included from VisFLWindow.cpp:23:
include/p4vasp/VisFLWindow.h:31: syntax error before `{' token
include/p4vasp/VisFLWindow.h:34: syntax error before `public'
include/p4vasp/VisFLWindow.h:40: virtual outside class declaration
include/p4vasp/VisFLWindow.h:41: virtual outside class declaration
include/p4vasp/VisFLWindow.h:42: virtual outside class declaration
include/p4vasp/VisFLWindow.h:43: destructors must be member functions
include/p4vasp/VisFLWindow.h:43: virtual outside class declaration
include/p4vasp/VisFLWindow.h:44: syntax error before `}' token
VisFLWindow.cpp:25:19: FL/Fl.H: No such file or directory
VisFLWindow.cpp:27: `Fl_Widget' was not declared in this scope
This means, that you do not have FLTK installed, or you do not have the development
headders for FLTK. Install fltk including the headders.
(They are usually in a package called like "fltk-devel".)
Read also the point 5:
(5) The structure window does not appear with the message
"Insufficient GL support".
At first make sure, that other OpenGL programs work.
The problem is most likely in the fltk library,
that decides during instalation
or compilation whether it will support OpenGL or not.
FLTK (Fast Light Tool-Kit) mini-troubleshooting:
P4vasp works with fltk 1.1.x. It can be downloaded from
http://www.fltk.org/software.php
If you are installing a binary distribution of fltk,
assure, that OpenGL is installed BEFORE you install the fltk.
If you are compiling fltk from the sources, again,
assure, that OpenGL is installed BEFORE you compile the fltk.
In both cases, you should try the test programs from
the fltk distribution, e.g. "fractals" or "glpuzzle".
If those programs work, you should be able to compile
successfully also the p4vasp.
Here is one small hint:
Check the config.h created by the configure script of the fltk.
The macros
#define HAVE_GL 1
and
#define HAVE_GL_GLU_H 1
should be defined inside config.h.
However, if there is
#define HAVE_GL 0
instead, it means, that the configure script did not noticed
the OpenGL for some reason.
The configure script of the fltk will not see the OpenGL library,
unless it is installed as either libGL or libMesaGL.
Check, that such libraries exist in your system.
Also check, that there are no broken symbolic
links to that library.
(6) The instalation fails with a lot of complains about "cp4vasp_wrap.cpp"
It might look like this:
cp4vasp_wrap.cpp:23744: `SwigMethods' undeclared (first use this function)
cp4vasp_wrap.cpp:23744: `Py_InitModule' undeclared (first use this function)
cp4vasp_wrap.cpp:23745: `PyModule_GetDict' undeclared (first use this function)
cp4vasp_wrap.cpp: At top level:
cp4vasp_wrap.cpp:183: warning: `swig_type_info*
SWIG_TypeDynamicCast(swig_type_info*, void**)' defined but not used
cp4vasp_wrap.cpp:195: warning: `const char* SWIG_TypeName(const
swig_type_info*)' defined but not used
cp4vasp_wrap.cpp:201: warning: `swig_type_info* SWIG_TypeQuery(const char*)'
defined but not used
cp4vasp_wrap.cpp:313: warning: `int swig_varlink_print(...)' defined but not
used
cp4vasp_wrap.cpp:339: warning: `int swig_varlink_setattr(...)' defined but not
used
cp4vasp_wrap.cpp:383: warning: `int SWIG_addvarlink(...)' declared `static' but
never defined
cp4vasp_wrap.cpp:436: warning: `int SWIG_ConvertPtr(...)' defined but not used
cp4vasp_wrap.cpp:528: warning: `int SWIG_ConvertPacked(...)' defined but not
used
make[1]: *** [cp4vasp_wrap.o] Error 1
make[1]: Leaving directory `/usr/local/src/p4vasp-0.1.5/src'
make: *** [p4vasp] Error 2
The errors are a consequence of the missing Python.h headder.
(If there are just warnings, it is OK.)
Install python including the headders.
(They are usually in a package called like "python-devel".)
The other possibility is, that you have python installed, but with a different paths,
e.g. it uses /usr/lib/python2.2 instead of /usr/lib/python.
In some distributions /usr/lib/python is a link to e.g. /usr/lib/python2.2.
If you do not have /usr/lib/python at all, then you need to adjust the Makefiles
(Makefile, odpdom/Makefile and src/Makefile) acording to your configuration.