[gpaw-users] Test GAPW

[Marcin Dulak]

Hi,

fabio.lima wrote:
> Dear GAPW users
> GAPW after the installation to run the test with the command.
>
> gpaw-python `which gpaw-test` 2>&1 | tee test.log
> presented the following errors in the output files (attached)
the problem with parunittest has been fixed in a more recent version of 
GPAW: 
https://trac.fysik.dtu.dk/projects/gpaw/changeset/7490/trunk/gpaw/test/parunittest.py
The errors are most likely harmless and the new version is not yet 
available as ubuntu package, therefore I would recommend to go ahead and 
try out GPAW that you have just installed:
https://wiki.fysik.dtu.dk/gpaw/tutorials/tutorials.html

Best regards,

Marcin
>
> I am using Ubuntu 11, i7 processor on core, 32bit, gfortran
>
> The library has installed 
> the ASE test. Jacapo compile gfortran codes by the DaCapo
>
> Where installed the latest versions
>
> It was installed the following libraries and their paths
>  
>
> - netcdf-4.0.1
>   ./configure --prefix=/usr/local/netcdf-4.0.1 FC=gfortran FCFLAGS=-O2 
> CC=gcc CXX=c++ CPPFLAGS='-DNDEBUG -DpgiFortran -fPIC'
> make check
> sudo make install
> - fftw-2.1.5
>   ./configure --prefix=/usr/local/fftw-2.1.5 F77=gfortran CC=gcc 
> CFLAGS=-O3 FFLAGS=-O3 --enable-shared --enable-threads
> make
> sudo make install
> - openmpi-1.4.1
>   ./configure --prefix=/usr/local/openmpi-1.4.1 FC=gfortran 
> F77=gfortran CC=gcc CXX=g++ FFLAGS=-O2 FCFLAGS=-O2 CFLAGS=-O2 CXXFLAGS=-O2
> make
> sudo make install
> Really do not know what mistake I did.
>
> Best Regardes  
> Fábio de Lima
> -- 
> Fábio de Lima
> Chemistry Department - UFMS
> Phone: 55 (67) 3345-3596
> Cellular: 55 (67) 9639-1338


-- 
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Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

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