[gpaw-users] installation of gpaw

[Boris Averkiev]

I am trying to install gpaw on cluster in my home directory (I am just user, not administrator). As it is written in manual, I first did Custom installation
I installed NumPy -  numpy-1.3.0 in my home directory
Also I installed ASE - python-ase-3.3.1.1390
We have blas and lapac libraries in MKL, so I specified the path to these libraries in customize.py
#library_dirs = ['/soft/intel/mkl/10.2.5.035/lib/em64t']
And libraries themselves
#libraries = ['mkl_lapack', 'mkl_intel_thread', 'mkl_def', 'mkl-mc', 'mkl_core', 'guide', 'mkl_intel_ilp64', 'mkl_blas95_ilp64']
However, it didn’t work. When I run “python setup.py build_ext 2>&1 | tee build_ext.log” command, I got error “cannot find -lblas”, so I changed all “blas” to “mkl_blas95_ilp64” and all “lapack” to “mkl_lapack” in config.py. After that it compiled, however it also gave the following message:
* Scientific is not installed.
  You will not be able to write and read wave functions
  in the netCDF format.
* Using standard mkl_lapack
* Compiling with ScaLapack
* Architecture: linux-x86_64
* Only a serial version of gpaw was built!

We have MPI - intel mpi, but I don't know how should I specify it.
When I run test 
gpaw-test 2>&1 | tee test.log
it fails. I have attached the test.log file
Information about cluster - SGI Altix XE 1300 Linux Cluster
Could you help me to resolve those problems?
Thank you 

Boris


      
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