Glad it did work! Looking at the code, GSL is currently used solely in
the calculation of the fractal dimension of a particle cluster.
I have no idea for the issue with the FFTW path though.
Best,
Konrad
Am Mi., 17. Juli 2019 um 12:50 Uhr schrieb hecke <address@hidden
<mailto:address@hidden>>:
Hi Konrad,
thanks, that did work.
Only to make sure: This does not compromise the functionality of
espresso, but only the performance in a very few routines?
thanks
Hecke
On 7/17/19 9:55 AM, Konrad Breitsprecher wrote:
> Hi Hecke,
> you might get away with just turning off GSL (cmake -DWITH_GSL=OFF),
> it's just needed for a specific cluster analysis method.
> Cheers,
> Konrad
>
> Am Di., 16. Juli 2019 um 18:46 Uhr schrieb hecke
<address@hidden <mailto:address@hidden>
> <mailto:address@hidden <mailto:address@hidden>>>:
>
> Dear Espresso-people,
>
> I am trying to compile espresso on a cluster here at MPIDS in
> Goettingen. We have lots of custom compiled libraries in
non-standard
> directories, so linking is always a bit tricky.
>
> Now, after some serious work, I got cmake to run through
smoothly, but
> when running make I more or less immediately run into the
problem that
> the gsl headers are not found. Although cmake lists the
correct path to
> the right gsl.
>
> Any hint on what I might be doing wrong here?
> To me it looks as if custom paths are not correctly put into the
> Makefiles by cmake.
>
> (btw, in order to get -DFFTW3_ROOT to work, I needed to set
> cmake_policy(SET CMP0074 NEW) in the root CMakeLists.txt,
otherwise,
> cmake would not configure the FFTW paths correctly, but tell
me that
> WARNING: Target "EspressoCore" requests linking to directory
> "/usr/lmp/fftw-3.3.8-mvapich2-2.3-gcc-8.2.0/lib". Targets
may link
> only
> to libraries. CMake is dropping the item.
> while I set -DFFTW3_LIBRARIES and -DFFTW3_INCLUDE_DIR
> Is this intended behavior?)
>
> cheers
> Hecke
>
>
>
-------------------------------------------------------------------------
>
> # cmake -DWITH_CUDA=off
> -DFFTW3_ROOT=/usr/lmp/fftw-3.3.8-mvapich2-2.3-gcc-8.2.0/
>
-DFFTW3_INCLUDE_DIR=/usr/lmp/fftw-3.3.8-mvapich2-2.3-gcc-8.2.0/include
> -DGSL_INCLUDE_DIR=/usr/lmp/gsl-2.5-gcc-8.2.0/include
> -DGSL_LIBRARY=/usr/lmp/gsl-2.5-gcc-8.2.0/lib
> -DGSL_CBLAS_LIBRARY=/usr/lmp/gsl-2.5-gcc-8.2.0/lib/libgslcblas.so
> -DCMAKE_C_COMPILER=/usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicc
> -DCMAKE_CXX_COMPILER=/usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicxx
>
-DCMAKE_FORTRAN_COMPILER=/usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpif90
>
-DBOOST_LIBRARIES=/usr/lmp/boost-1.69.0-mvapich2-2.3-gcc-8.2.0/lib
> -DBOOST_ROOT=/usr/lmp/boost-1.69.0-mvapich2-2.3-gcc-8.2.0/ ..
> -- The C compiler identification is GNU 8.2.0
> -- The CXX compiler identification is GNU 8.2.0
> -- Check for working C compiler:
> /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicc
> -- Check for working C compiler:
> /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicc -- 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/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicxx
> -- Check for working CXX compiler:
> /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicxx -- works
> -- Detecting CXX compiler ABI info
> -- Detecting CXX compiler ABI info - done
> -- Detecting CXX compile features
> -- Detecting CXX compile features - done
> -- Config file:
>
/usr/lmp/SOURCES.ORIGINAL/espresso-4.0.2/src/core/myconfig-default.hpp
> -- Performing Test result__PRETTY_FUNCTION__
> -- Performing Test result__PRETTY_FUNCTION__ - Success
> -- Found PythonInterp: /usr/lmp/anaconda3/bin/python (found
version
> "3.7.1")
> -- Found Cython version 0.29.2
> -- Found Cython: /usr/lmp/anaconda3/bin/cython (Required is
at least
> version "0.23")
> -- Found NumPy:
> /usr/lmp/anaconda3/lib/python3.7/site-packages/numpy/core/include
> (found
> version "1.15.4")
> -- NumPy ver. 1.15.4 found (include:
>
/usr/lmp/anaconda3/lib/python3.7/site-packages/numpy/core/include)
> -- HDF5: Using hdf5 compiler wrapper to determine C configuration
> -- Found HDF5:
>
/usr/lmp/anaconda3-2018.12/lib/libhdf5.so;/usr/lib64/librt.so;/usr/lib64/libpthread.so;/usr/lmp/anaconda3-2018.12/lib/libz.so;/usr/lib64/libdl.so;/usr/lib64/libm.so
>
> (found suitable version "1.10.2", minimum required is "1.8")
found
> components: C
> -- Found PkgConfig: /usr/bin/pkg-config (found version "0.27.1")
> -- Found GSL: /usr/lmp/gsl-2.5-gcc-8.2.0/include (found
version "2.4")
> -- Found MPI_C: /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicc (found
> version
> "3.1")
> -- Found MPI_CXX: /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicxx
(found
> version "3.1")
> -- Found MPI: TRUE (found version "3.1")
> -- Boost version: 1.69.0
> -- Found the following Boost libraries:
> -- mpi
> -- serialization
> -- filesystem
> -- system
> -- unit_test_framework
> -- Found Doxygen: /usr/bin/doxygen (found version "1.8.5") found
> components: doxygen missing components: dot
> -- Found Sphinx: /usr/lmp/anaconda3/bin/sphinx-build (found
suitable
> version "1.8.2", minimum required is "1.6.6")
> -- writing
>
/usr/lmp/SOURCES.ORIGINAL/espresso-4.0.2/build/myconfig-sample.hpp
> -- The following OPTIONAL packages have been found:
>
> * FFTW3
> * HDF5 (required version >= 1.8)
> * PkgConfig
> * GSL
> * Doxygen
> * Sphinx (required version >= 1.6.6)
>
> -- The following REQUIRED packages have been found:
>
> * PythonInterp
> * Cython (required version >= 0.23)
> * NumPy
> * MPI
> * Boost (required version >= 1.53.0)
>
> -- Configuring done
> -- Generating done
> CMake Warning:
> Manually-specified variables were not used by the project:
>
> BOOST_LIBRARIES
> CMAKE_FORTRAN_COMPILER
>
>
> -- Build files have been written to:
> /usr/lmp/SOURCES.ORIGINAL/espresso-4.0.2/build
>
>
--------------------------------------------------------------------------------
>
>
>
> # make
> [ 0%] Built target myconfig
> [ 0%] Built target check_myconfig
> [ 1%] Built target EspressoConfig
> [ 2%] Building CXX object
>
src/core/cluster_analysis/CMakeFiles/cluster_analysis.dir/Cluster.cpp.o
>
/usr/lmp/SOURCES.ORIGINAL/espresso-4.0.2/src/core/cluster_analysis/Cluster.cpp:23:10:
>
> fatal error: gsl/gsl_fit.h: No such file or directory
> #include "gsl/gsl_fit.h"
> ^~~~~~~~~~~~~~~
> compilation terminated.
>
>
>
>