Error in installing Dalton with ATLAS

[lz123]

Hi,

I have an error when I try to install Dalton on my group's machine. This is the message I get at the end:

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[ 65%] Building Fortran object CMakeFiles/dalton.dir/binary_info.F90.o
Linking Fortran static library lib/libdalton.a
[ 65%] Built target dalton
Scanning dependencies of target dalton.x
[ 65%] Building Fortran object CMakeFiles/dalton.x.dir/DALTON/abacus/dalton.F.o
make[2]: *** No rule to make target `/home/lz/TEST_BUILDS/atlas_gfortran/lib -lblas -llapack', needed by `dalton.x'.  Stop.
make[1]: *** [CMakeFiles/dalton.x.dir/all] Error 2
make: *** [all] Error 2

My ATLAS library is compiled with gfortran and contains the full lapack. I only have the static libraries. When I run the setup script I get no complaint.
The setup seems to be ok:

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$ ./setup --fc=gfortran --cc=gcc --cxx=g++ --blas=none --lapack=none --explicit-libs="/home/lz/TEST_BUILDS/atlas_gfortran/lib -lblas -llapack" --cmake=/home/lz/TEST_BUILDS/cmake-3.2.0-rc2-Linux-x86_64/bin/cmake
 FC=gfortran CC=gcc CXX=g++ /home/lz/TEST_BUILDS/cmake-3.2.0-rc2-Linux-x86_64/bin/cmake -DENABLE_MPI=OFF -DENABLE_SGI_MPT=OFF -DENABLE_OMP=OFF -DENABLE_64BIT_INTEGERS=OFF -DENABLE_OPENACC=OFF -DENABLE_COLLAPSE=OFF -DENABLE_CSR=OFF -DENABLE_SCALASCA=OFF -DENABLE_VAMPIRTRACE=OFF -DENABLE_TIMINGS=OFF -DENABLE_XCFUN=OFF -DENABLE_INTEREST=OFF -DENABLE_ICHOR=OFF -DENABLE_STATIC_LINKING=OFF -DENABLE_SCALAPACK=OFF -DENABLE_AUTO_BLAS=OFF -DENABLE_AUTO_LAPACK=OFF -DEXPLICIT_LIBS="/home/lz/TEST_BUILDS/atlas_gfortran/lib -lblas -llapack" -DCMAKE_BUILD_TYPE=release /home/lz/TEST_BUILDS/DALTON-Source

-- User set explicit libraries: /home/lz/TEST_BUILDS/atlas_gfortran/lib -lblas -llapack
-- System                : Linux
-- Processor type        : x86_64
-- Fortran compiler flags: -DVAR_GFORTRAN -DGFORTRAN=445 -ffloat-store -fcray-pointer -m64 -w -O3 -ffast-math -funroll-loops -ftree-vectorize
-- C compiler flags      : -std=c99 -DRESTRICT=restrict -DFUNDERSCORE=1 -DHAVE_NO_LSEEK64 -ffloat-store -w -m64 -O3 -ffast-math -funroll-loops -ftree-vectorize -Wno-unused
-- Libraries             : /home/lz/TEST_BUILDS/atlas_gfortran/lib -lblas -llapack
-- Definitions           : SYS_LINUX;SYS_UNIX;VAR_GFORTRAN;COMPILER_UNDERSTANDS_FORTRAN_2003;BUILD_GEN1INT;BUILD_PELIB;BUILD_QFITLIB;VAR_MFDS;_FILE_OFFSET_BITS=64;IMPLICIT_NONE;BINARY_INFO_AVAILABLE;INSTALL_BASDIR="/home/lz/TEST_BUILDS/DALTON-Source/build/basis";VAR_RSP;INSTALL_WRKMEM=64000000;INSTALL_MMWORK=1
-- Changed cmake policy to version 3.0, except for policy CMP037
-- The Fortran compiler identification is GNU
-- The C compiler identification is GNU 4.7.2
-- The CXX compiler identification is GNU 4.7.2
-- Check for working Fortran compiler: /usr/bin/gfortran
-- Check for working Fortran compiler: /usr/bin/gfortran  -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /usr/bin/gfortran supports Fortran 90
-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes
-- Check for working C compiler: /usr/bin/gcc
-- Check for working C compiler: /usr/bin/gcc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/g++
-- Check for working CXX compiler: /usr/bin/g++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Performing Test COMPILER_UNDERSTANDS_FORTRAN03
-- Performing Test COMPILER_UNDERSTANDS_FORTRAN03 - Success
-- Math lib search order is MKL;ESSL;OPENBLAS;ATLAS;ACML;SYSTEM_NATIVE
-- You can select a specific type by defining for instance -D BLAS_TYPE=ATLAS or -D LAPACK_TYPE=ACML
-- or by redefining MATH_LIB_SEARCH_ORDER
-- Configuring done
-- Generating done
-- Build files have been written to: /home/lz/TEST_BUILDS/DALTON-Source/build

   configure step is done
   now you need to compile the sources:
   $ cd build
   $ make

Does anyone have an idea why do I get this compilation error?

[simensr]

You can instead do a:

export MATH_ROOT=/home/lz/TEST_BUILDS/atlas_gfortran

and then run the setup:

./setup --fc=gfortran --cc=gcc --cxx=g++ --cmake=/home/lz/TEST_BUILDS/cmake-3.2.0-rc2-Linux-x86_64/bin/cmake

This should automatically detect and add the needed libraries for you.

With the explicit libs you would need an added -L in front, and for atlas (I believe) the correct libraries are lapack, cblas, atlas and f77blas:

--explicit-libs="-L/home/lz/TEST_BUILDS/atlas_gfortran/lib -llapack -lcblas -latlas -lf77blas"

I hope this is of help.

[lz123]

Thanks for the reply. This is what worked:

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./setup --fc=gfortran --cc=gcc --cxx=g++ --blas=none --lapack=none --explicit-libs="-L/home/lz/TEST_BUILDS/atlas_gfortran/lib -lblas -llapack -latlas -lf77blas" --cmake=/home/lz/TEST_BUILDS/cmake-3.2.0-rc2-Linux-x86_64/bin/cmake

I guess I'll test the build tomorrow.