fix compilation with DFTB+ support on MPCDF clusters
Following the #583 (closed), to temporarily circumvent the issue with octopus configuration on the MPCDF clusters, the $DFTBPLUS_HOME/lib
path is now a symbolic link to $DFTBPLUS_HOME/lib64
. With this change in the module, the configuration finds the DFTB+ library but the following failure happens during the compilation of 81905a72 on ADA with build_octopus_mpcdf.sh
:
/****/src/dftbplus/dftb.F90:30:7:
30 | use interactions_factory_oct_m
| 1
Fatal Error: Mismatch in components of derived type ‘__vtype_elpa_api_Elpa_t’ from ‘elpa_api’ at (1): expecting ‘autotune_save_state’, but got ‘autotune_print_state’
compilation terminated.
make[2]: *** [Makefile:3225: dftbplus/dftb.lo] Error 1
make[2]: *** Waiting for unfinished jobs....
loaded compilation modules:
1) gcc/11 3) mkl/2022.0 5) hdf5-serial/1.14.0 7) etsf_io/1.0 9) libvdwxc-mpi/0.4.0 11) boost/1.74 13) metis-64/5.1 15) dftbplus/22.1
2) openmpi/4 4) gsl/2.4 6) netcdf-serial/4.4.1 8) libxc/5.1.5 10) cgal/5.2 12) elpa/mpi/standard/2021.05.001 14) parmetis-64/4.0
generated config headers: config.h
Edited by Meisam Tabriz