[ase-users] Installation of ASE-DACAPO On Ubuntu 12.10

[Marcin Dulak]

Hi,

on Ubuntu 12.04 the correct underscoring convention is 
gfortran_fnosecond_underscore
It should be the same on Ubuntu 12.10.
The full serial make line reads:

BLASLAPACK="-llapack -lf77blas -lcblas -latlas -lnetcdff -lnetcdf" NETCDF=/usr/lib FFTW=/usr/lib FFLAGS_OPT="-O3 -funroll-all-loops" make gfortran_fnosecond_underscore  2>&1 | tee make.log

and the parallel one:

BLASLAPACK="-llapack -lf77blas -lcblas -latlas -lnetcdff -lnetcdf" NETCDF=/usr/lib FFTW=/usr/lib FFLAGS_OPT="-O3 -funroll-all-loops" MPI_LIBDIR=/usr/lib/openmpi/lib MPI_BINDIR=/usr/bin MPI_INCLUDEDIR=/usr/lib/openmpi/include make gfortran_fnosecond_underscore MP=mpi  2>&1 | tee make_mpi.log


Best regards,

Marcin

On 02/04/13 14:53, Sungsik Kim wrote:
> Hello,
> This is Sungsik Kim.
> I am installing dacapo on Ubuntu 12.10.
> I am a newer to Ubuntu.
> I got an error in "make gfortran_fsecond_underscore"
> Here is my error below.
> ########################################################################################################
> gen_hamiltonian_matrix.o: In function `gen_hamiltonian_matrix__':
> gen_hamiltonian_matrix.F:(.text+0x40d): undefined reference to `nf_open__'
> gen_hamiltonian_matrix.F:(.text+0x67a): undefined reference to 
> `nf_close__'
> collect2: error: ld returned 1 exit status
> make[2]: *** [dacapo.run] Error 1
> make[2]: Leaving directory 
> `/home/sungsik/dacapo/src/gfortran_fsecond_underscore_serial'
> make[1]: *** [serial] Error 2
> make[1]: Leaving directory `/home/sungsik/dacapo/src'
> make: *** [gfortran_fsecond_underscore] Error 2
> #######################################################################################################
> Here is my procedure to install dacapo.
> sudo apt-get install liblapack-dev
> sudo apt-get install libnetcdf-dev
> sudo apt-get install netcdf-bin
> sudo apt-get install fftw-dev
> sudo apt-get install subversion
> sudo apt-get install gfortran
> sudo apt-get install python-scientific
> sudo apt-get install grace
> sudo apt-get install rasmol
> sudo apt-get install gnuplot
> sudo apt-get install python-pexpect
> sudo apt-get install python-vtk
> sudo apt-get install python-matplotlib
> sudo apt-get install python-gnuplot
>
> svn checkout https://svn.fysik.dtu.dk/projects/ase/trunk ase
> sudo apt-get install python-ase
> svn co https://svn.fysik.dtu.dk/projects/dacapo/trunk dacapo
> cd
> mkdir psp
> cp -pr dacapo/psp/*/*/*.pseudo psp
>
> export NETCDF="/usr/lib"
> export DACAPOPATH="/home/psp"
> export BLASLAPACK="-L/usr/lib -lnetcdff -lnetcdf -L/usr/lib -lblas 
> -llapack -L/usr/lib -lblas -llapack -lgfortran"
> export FFTW="/usr/lib"
>
> cd ~/dacapo/src
> make gfortran_fsecond_underscore
>
>
> export VTK_TK_WIDGET_PATH=/usr/lib
> export PYTHONPATH=${HOME}/dacapo/Python:${HOME}/ase
> export 
> PATH=${HOME}/bin:${HOME}/ase/ase/tools:${HOME}/dacapo/Python/Dacapo/Tools:${PATH}
> export 
> DACAPOEXE_SERIAL=${HOME}/dacapo/src/gfortran_fsecond_underscore_serial/dacapo.run
> I cannot figure out what is wrong with my procedure.
> Thank you for taking your time.
> Sincerely
> Sungsik
>
>
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users


-- 
***********************************
  
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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