installing vasp on windows

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ashinde · #1 Post by **ashinde** » Wed Sep 07, 2005 7:22 pm

I'm not sure how to install vasp on windows platform. I've ftp'd the files and decompressed them, not sure what to do from there. thanks.

konglt · #2 Post by **konglt** » Wed Sep 21, 2005 5:55 pm

well, if you do not want to waste much of your time, change your operating system into linux.

graeme · #3 Post by **graeme** » Thu Sep 22, 2005 7:52 pm

I am also interested in any advice about building vasp on windows. If anyone has experience with specific F90 compilers, I would like to know about it.

jlrch · #4 Post by **jlrch** » Wed Oct 12, 2005 9:59 am

It is possible, in fact, to build VASP on Windows using cygwin and several F90 compilers like g95, pgf90, and ftn95. However, the timing routines (mostly in C) need to be modified according to Windows rules or their calling sentences removed or commented out from the main code. The timing routines are easily adapted to cygwin using gcc/g95 and the LAPACK/BLAS libraries are also easy to build. Unfortunately

, I cannot provide a working example since my Windows laptop died unexpectedly a few days ago.

c00jsh00 · #5 Post by **c00jsh00** » Wed Nov 16, 2005 1:37 am

Have you had a chance to compile VASP using gcc4.0.2 under cygwin environment?
I installed gcc4.0.2 on my PC under cygwin environment, tried to install VASP 4.6 with gfortran of gcc4.0.2, but some of the programs failed in the preprocessing stage, i.e., after the preprocessing, some *.F files create empty *.f files. Perhaps someone can help me on the modification of the makefile?

ericsun · #6 Post by **ericsun** » Sun Jan 08, 2006 2:31 am

I once compiled a working vasp.exe on Windows, but only for serial version.
I didn't use gcc compiler and cygwin. So, if you don't want to install the cygwin environment, you may read below to see if you can get some hint.

What I did is like:
1) Go to the vasp.4.lib directory and have a look on all the .c files.
Then, go back to vasp.4.6 and grep *.f90 to see where these c subroutines
are called. Since they are just for timing purpose, you can replace them
by your own Fortran equivalent or just remove them. As I remember,
you also need to find a Fortran subroutine for the error function.

2) I still relied on a Linux box and the Intel Fortran compiler in order to
get the preprocessed .f90 files from the .F files. You also need to record
the sequence that the .f90 files are compiled when compiling in Linux
by ifc, since you later will have to follow the same sequence to compile
in Windows.

3) Then write a simple .bat file to compile VASP by whatever Fortran
compiler for Windows. I used CVF6.5 since it has a cxml option
and you don't need to care about the LAPACK and BLAS stuff.

Unfortunately, I have forgotten the details since I have dumped
Windows from all my machines for about two years.

ouojeda · #7 Post by **ouojeda** » Tue Dec 11, 2007 7:51 pm

Hi
I just wanted to ask if there is any successful way to compile vasp on cygwin
Thanks

phast · #8 Post by **phast** » Tue Nov 23, 2010 9:45 am

I have installed the VASP in Windows,

and it seems works well in windows XP and Windows 7(32bit).
I compiled the BLAS and LAPACK package from source files by g95 in cygwin.
I compiled the vasp.4.lib and vasp.4.6 by g95 and gcc in cygwin.
I have not try MPI entill now.
The ones who is interested in it can contact me : phast@yahoo.cn