Vasp installation on Mac OS X

Message

denismpa · #1 Post by **denismpa** » Sat Jul 09, 2011 10:20 pm

Hello, All!
I would like to know if any of you has succeeded compiling VASP on a Mac.

I have tried both compilers gcc and Intel but no success on any.

I have gonne up some steps but never till the end.

First I had to modify the preprocess script due to a difference on the sed behavior that would empty the Source.F file and generate another empty destination.f file.

Right now I stop compiling the library, that it generate objects with no symbols, like this:

/usr/bin/ranlib: file: libdmy.a(preclib.o) has no symbols
/usr/bin/ranlib: file: libdmy.a(diolib.o) has no symbols
/usr/bin/ranlib: file: libdmy.a(dlexlib.o) has no symbols
/usr/bin/ranlib: file: libdmy.a(drdatab.o) has no symbols

I could get somewhat further compiling each module manually, and it worked for all except for preclib.
well, after all, the result is that it does not compile, even working somethings out manually (I had to compile some modules by hand, because some steps of make would depend on modules that had not been compiled before).

So, the final question is: has somebody managed to compile vasp on a Intel64/mac with either intel or GNU(prefferable) compilers?

if yes, could you send over your makefiles and any extra step you had to go through?

this is my mac release: Darwin iMac-de-Caetano.local 10.8.0 Darwin Kernel Version 10.8.0: Tue Jun 7 16:33:36 PDT 2011; root:xnu-1504.15.3~1/RELEASE_I386 i386

thank you all very much in advance
Denis

denismpa · #2 Post by **denismpa** » Sat Jul 09, 2011 10:26 pm

additionally, i am trying out with vasp 5.2.11

tom.hornos · #3 Post by **tom.hornos** » Sun Jul 10, 2011 11:45 pm

It is possible. You should put library object references into the main Makefile instead of linking libdmy.

aron · #4 Post by **aron** » Sun Jul 10, 2011 11:56 pm

Denis, the issue you mentioned with .F and .f is not sed behaviour. The standard OSX filesystem is not case sensitive! A good approach is to have a second partition that you keep case sensitive (it is an option under Disk Utility). It took me a while to realise this at first.

tom.hornos · #5 Post by **tom.hornos** » Mon Jul 11, 2011 1:02 am

The best way is to rename all files to .F and tweak makefiles for preprocessor .F -> f90 conversion. There is no need for a case sensitive partition.

denismpa · #6 Post by **denismpa** » Tue Jul 12, 2011 5:04 am

[quote="tom.hornos"]It is possible. You should put library object references into the main Makefile instead of linking libdmy.[/quote]

Maybe I got it wrong, but what you are suggesting is that I add the lib objects direct to the vasp binary?

the problem is that tha preclib.o object is empty.(has no symbols).

Could you elaborate on what I have to do?

Thank you very much!

denismpa · #7 Post by **denismpa** » Tue Jul 12, 2011 5:10 am

Aron and Tom, as for the case sensitive problem, I tried both approaches... right now i have a secondary (and case sensitive) partition waiting I get through the library problem to give it a try. The object preclib.o is still being generated with no symbols. =(

denismpa · #8 Post by **denismpa** » Tue Jul 12, 2011 5:30 am

Tom, do you have the makefile you used to build it?

elina5237 · #9 Post by **elina5237** » Wed Sep 05, 2012 11:08 am

The best way is to rename all files to .F and tweak makefiles for preprocessor .F -> f90 conversion. There is no need for a case sensitive partition.

Abercrombie Brussel

peterklaver · #10 Post by **peterklaver** » Wed Sep 12, 2012 12:45 pm

I don't know if anyone is still having trouble. If so, somebody put up some helpful tips,

http://chengis.me/2009/03/parallel-sies ... on-mac-pro

and was kind enough to send me his makefiles. If anybody still has trouble then feel free to post here or contact me. I think the case (in)sensitive file system issue that was already mentioned would be the main culprit. But if anything else persists, then do tell. Should be fixable.