My Community

[vasp5.2, 24 core intel xeon, ifc 11.1, GotoBLAS2, lapack provided by vasp]

Hello all,

We are trying to compile vasp 5.2 and no matter what I do, I always get the same error:

bse.o: In function `bse_mp_diag_bse_matrix_`:
bse.f90:(.text+0xa738): undefined reference to `cheevx_`

I tried compiling a serial and a parallel version and also different GotoBLAS libraries.

Another thread in this forum
http://cms.mpi.univie.ac.at/vasp-forum/ ... php?2.9909
suggested this to be a problem with the Blas libraries.

However, I also tried to compile vasp against an older Blas version which I succesfully used to compile vasp 4.6.

http://cms.mpi.univie.ac.at/vasp-forum/ ... php?2.4554

Any suggestions on how to go on?
Any more information needed?

Thank you

Hi,

it looks like you misplaced your lapack library. Did you check if you linked libdmy.a correctly. Or lapack.o?

Cheers,

alex

Hello Alex,

thank you for your answer.
I think lapack and libdmy.a are linked correctly.

Surprisingly, I found a version of GotoBLAS2 (out of the countless versions I compiled during the last years) which is working and gives no errors together with the vasp provided lapack.

So opposed to what I wrote in the last post, the problems has to be in GotoBlas2 or a problem between GotoBLAS and lapack, respectively.

I have no idea what is wrong. I tried all possible ways of creating libgoto and all of them fail.

If I replace the vasp provided lapack with one provided by openSUSE, vasp compiles without errors even with the libgoto2 which fails in the previous tries. Now, however, I get an error during runtime.

I think I'll have to keep on playing around.

Any ideas anybody?

Thank you

Hello Meister Krause,

you may step back and look what you have done to get it (not) working.

If you think your problems are connected to your self-compiled libgoto/2, you may try Intel's MKL or AMD's ACML (depending on your system). They both contain all linear algebra you need. I would no go for the OpenSuse-Version, I'd prefer the vendor's version, because you there is hope that they put some effort in optimising the code for processor benchmarking (SPEC).

If you get it working you might go back to Goto's versions.

Hth,

alex

Hello Meister Krause,
did you solve this probelm? I also have such problem when I install the Vasp5.2 version.