Error in compilation of siesta-psml-support/atom.F code with fujitsu compiler
We encountered an error in the compilation of atom.F code in the siesta-psml-support parallel version when trying to compile using the fujitsu compiler. The library dependencies were also compiled using the fujitsu compiler.
below is the top of the error message:
mpifrt -c -g -O1 -I/lustre/projects/fernandez-serra-group/siesta-psml-support-01302023/esl-bundle-master/build_dir/install/include -I /lustre/projects/fernandez-serra-group/siestapsml/Obj_fuj/ncps/src -I /lustre/projects/fernandez-serra-group/siestapsml/Obj_fuj/psoplib/src -I/lustre/projects/fernandez-serra-group/siesta-psml-support-01302023/esl-bundle-master/build_dir/install/include -I/lustre/projects/fernandez-serra-group/psmllibs/libgridxc_fuj/build_mpi/include/gridxc_dp_mpi -I/lustre/projects/fernandez-serra-group/siesta-psml-support-01302023/esl-bundle-master/build_dir/install/include -I/lustre/projects/fernandez-serra-group/siesta-psml-support-01302023/esl-bundle-master/build_dir/install/include -I/lustre/projects/fernandez-serra-group/psmllibs/libgridxc_fuj/build_mpi/include/gridxc_dp_mpi -I/lustre/projects/fernandez-serra-group/siesta-psml-support-01302023/esl-bundle-master/build_dir/install/include -DMPI -DMPI_TIMING -DFC_HAVE_ABORT -DFC_HAVE_FLUSH /lustre/projects/fernandez-serra-group/siestapsml/Src/atom.F Fortran diagnostic messages: program name(atom) jwd1384i-s "/lustre/projects/fernandez-serra-group/siestapsml/Src/atom.F", line 36: The module or submodule 'vdw_set' that is used directly or indirectly in the module or submodule 'gridXC' must be available. jwd1197i-s "/lustre/projects/fernandez-serra-group/siestapsml/Src/atom.F", line 37: Use name 'gridxc_getXC' is not a public entity in this module.
The error seems to be in the vdw_set module that is in gridXC module. However, we looked for calls to this module in the libgridxc library and did not find anything.
Possible reason for error: There maybe an issue with our compilation of libgridxc library. The make check command failed to pass the tests in the test2 and test3 folderes of the testers. However, the gridxc libraries used to link in the siesta compilation are present in the build folder.