Recently, I compiled abinit in LISA cluster-computer (Intel, Xeon-'nocona', EM64T , Debian Linux,...) in Amsterdam:
CAUTION :
- please use GCC 4.4 or later , otherwise: you will get an error!
using gcc (GCC) 4.1.2 20080704 , I got,
" etsf_io_split_get.f90:99: fatal error: gfc_todo: Not Implemented: complex character array constructors "
- Dont worry about the error:
rite(6,'(A,I)') "Problem to compute workspace to use ScaLAPACK, INFO=",INFO
just edit src/51_manage_mpi/scalapack.F90, namely, changing '(A,I)' with '(A,I5)'.
(thanks to: Arcesio Castañeda Medina in abinit-forum: http://www.abinit.org/downloads/source-packages/abinit-1/issues/1
NOTE: He suggested changing '(A,I)' with '(A,I2)' BUT I used changing '(A,I)' with '(A,I5)', following, http://structbio.vanderbilt.edu/archives/amber-archive/2008/3058.php ;-)
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Installation notes:
module load mkl/64/11.0 lapack/intel/64/3.2 scalapack/intel/64/1.8.0 fftw3/intel/64/3.2.2 openmpi/intel/64 mpich2/gnu/64 blacs/openmpi/gnu/64 blacs/mvapich2/intel
(in other machines please set your path to access: fftw3 , mpich2, lapack etc.)
./configure --prefix=/home/kmohan/Learning/abinitBin --program-suffix="-mpi" --enable-mpi FC=mpif90
(i faced probs with --enable-scalapack option, so i removed it, but if you can to have it, its good )
make
after the 'make' it is strongly recommended to make the tests, after the entering to tests folder and type 'make' to see the options for the test-builds
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