ABINIT Discussion Forums

Dear colleges,

I have a problem - can't configure Abinit.

OS: Debian 6.0.7

Installed packeges: thanks to jbeuken:
* gcc gfortran
* patch
* libnetcdf4 libnetcdf-dev
* fftw3 libfftw3-dev
* libatlas-base-dev libatlas3gf-base
* liblapack3gf liblapack-dev
* libblas3gf libblas-dev
* openmpi-bin openmpi-common libopenmpi-dev

Configuration file: named <conf.ac>:

prefix="/opt/Abinit"
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/usr"
enable_gpu="yes"
with_gpu_prefix="/opt/cuda"
with_gpu_flavor="cuda-double"
with_netcdf_incs="-I/usr/include"
with_netcdf_libs="-L/usr/lib64 -lnetcdf -lnetcdff"
with_fft_flavor="fftw3"
with_fft_incs="-I/usr/include/"
with_fft_libs="-L/usr/lib64 -lfftw3"
with_linalg_flavor="atlas+magma"
with_linalg_libs="-L/opt/magma/lib -lmagma -L/usr/lib64 -llapack -lf77blas -lcblas"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
enable_gw_dpc="yes"
enable_maintainer_checks="no"
enable_test_timeout="yes"
enable_openmp="yes"
enable_gui_build="yes"
enable_gui="yes"

Please help me!

As I found, magma is nessesary, but I can't configure with it (without magma is OK)

ERROR MESSAGE:
configure: error: the requested atlas+magma linear algebra flavor is not supported on this architecture

Hi,

how did you compiled/installed magma ?

what the folder /opt/magma/lib contains ?

by the way, why do you set to "yes" :


jmb

Dear jbeuken, thanks for your responding!

Magma compilation:
1. Download MAGMA 1.3
2. Unpack magma-1.3.0.tar.gz into /opt
3. I've used make.inc.mkl-gcc file, and changed it like this:

GPU_TARGET = Fermi

CC = gcc
NVCC = nvcc
FORT = gfortran

ARCH = ar
ARCHFLAGS = cr
RANLIB = ranlib

OPTS = -O3 -DADD_ -DCUBLAS_GFORTRAN
F77OPTS = -O3 -DADD_
FOPTS = -O3 -DADD_ -x f95-cpp-input
NVOPTS = -O3 -DADD_ --compiler-options -fno-strict-aliasing -DUNIX
LDOPTS = -fPIC -Xlinker -zmuldefs

# gcc with MKL 10.3, GNU threads
LIB = -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core -lpthread -lcublas -lcudart -lm -fopenmp

MKLROOT = /opt/intel/composer_xe_2013.1.117/mkl
CUDADIR = /opt/cuda

LIBDIR = -L/opt/intel/composer_xe_2013.1.117/mkl/lib/intel64 -L/opt/cuda/lib64
INC = -I/opt/cuda/include

4. make
---
After all, in ../magma/lib there are libmagma.a and libmagmablas.a
---
*** enable_openmp="yes" -- because -fopenmp is added in magma's make.inc in LIB = ...
*** enable_gui_build="yes", enable_gui="yes" -- this... well.. yes, at first try this seems not so good...

Also, in Abinit compilation it's better to use MKL, but I don't understand, which lib's I need...

Okay, finally I've got normal configuration with:

prefix="/opt/Abinit"

enable_64bit_flags="yes"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"

enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/opt/openmpi"

enable_gpu="yes"
with_gpu_prefix="/opt/cuda"
with_gpu_flavor="cuda-double"

with_fft_flavor="fftw3"
with_fft_libs="-L/opt/magma-1.3.0/lib -lmagma -lmagmablas -L/opt/intel/composer_xe_2011_sp1.11.339/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"

with_linalg_flavor="mkl+magma"
with_linalg_libs="-L/opt/magma-1.3.0/lib -lmagma -lmagmablas -L/opt/intel/composer_xe_2011_sp1.11.339/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"

So, make. After some time I've got an error:

/opt/magma-1.3.0/lib/libmagma.a(dgetrf2_mgpu.o): In function `magmaSetDevice(int)':
dgetrf2_mgpu.cpp:(.text+0x0): multiple definition of `magmaSetDevice(int)'
/opt/magma-1.3.0/lib/libmagma.a(zgetrf2_mgpu.o):zgetrf2_mgpu.cpp:(.text+0x0): first defined here
make[3]: *** [abinit] Error 1
make[3]: Leaving directory `/home/kira/Desktop/dev/abinit-7.2.1/src/98_main'

Can anyone says to me solution?

Hi ,

I don't if it's the solution but I use


with_linalg_libs = -L/usr/local/magma_gcc46_mkl/lib -Wl,--start-group -lmagma -lmagmablas -lcuda -Wl,--end-group -L/opt/intel/Composer/mkl -lmkl_scalapack_lp64 -lmkl_gf_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_openmpi_lp64 -lpthread -lm


jmb

Hi,
I came across the same compilation problem as iberezk7. This is caused by some defects in Magma 1.3.0 .
You may refer to this post to find the solution: http://icl.cs.utk.edu/magma/forum/viewt ... ?f=2&t=789

Best regards,
Agnxy