ABINIT Discussion Forums

Dear Abinit developper,

I am trying to compile abinit with psml support on our Debian8 server.

I tried to configure abinit with the following command:

../configure --prefix=/home/admincluster/compile_abinit/abinit-8.0.7/build --enable-mpi --enable-mpi-io --with-mpi-prefix=/cluster_cti/utils/openmpi/openmpi-2.0.1-ifort2017 --with-fft-flavor=fftw3 --with-linalg-flavor=mkl --with-linalg-incs=-I/opt/intel/mkl/lib/intel64/ --with-linalg-libs="-L/opt/intel/mkl/lib/intel64/ -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blas95_lp64 -lmkl_lapack95_lp64 -lpthread" --with-dft-flavor=atompaw+libxc+bigdft+wannier90 --with-trio-flavor=netcdf+etsf_io+psml

At the end, configure give me the following error:

checking whether to select a fallback for psml... no
checking for PSML libraries to try... -lpsml
checking for Fortran module includes... unknown

+--------------------------------------------------------------+
| Connector detection failure |
+--------------------------------------------------------------+
| The build system of Abinit has not been able to detect |
| one or more requested external packages, probably because |
| you did not provide sufficient information. This means |
| that the build cannot proceed, and the configure script |
| will thus abort now with an error. |
| |
| To address this issue, you may: |
| |
| * make sure that the prerequisites of the external |
| packages are available and enabled, e.g. |
| --with-dft-flavor="libxc+bigdft" or |
| --with-trio-flavor="netcdf+etsf_io" |
| |
| * use the --with-*-bins, --with-*-incs, and |
| --with-*-libs options of configure to provide |
| additional information; please see the section related |
| to connectors in |
| ~abinit/doc/build/config-template.ac for available |
| options and details; |
| |
| * disable the corresponding extensions, by using the |
| associated --with-*-flavor="none" options of |
| configure; please see the section associated to |
| connectors in ~abinit/doc/build/config-template.ac for |
| details. |
| |
+--------------------------------------------------------------+

configure: error: no working version of psml has been found

Can anyone help me please,

Regards

Rémi

Use:

--with-psml-incs="-I/directory/with_pspml_include_files/"

--with-psml-libs="-L/directory/with_pspml_libs -lname_of_library"

If the configure fails, send us the config.log file