I am trying to install LSDALTON (gotten from gitlab Oct 23 2018) in a Cray computer (Theta @ ALCF.anl.gov).
I successfully configured the code with:
./setup --fc=ftn --cc=cc --cxx=CC --cray --mpi
but when I 'make' I get the follow error:
Code: Select all
[ 64%] Built target ls_openrsp_wrapper
Scanning dependencies of target linearslib
[color=#008000]
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/average_util.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/LocTypes.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/ChargeLoc.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/ChargePrec.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/kurtosis.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/davidson_settings.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/fock-eval.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/scfopt-typedef.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/statistics.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/diag.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/LSDALTON_RESPONSE_type.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/soeo-typedef.F90.o
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/arh_debug.F90.o[/color]
[ 64%] Building Fortran object CMakeFiles/linearslib.dir/src/linears/configurationType.F90.o
/lus/theta-fs0/projects/catalyst/avazquez/soft/dalton/lsdalton/src/linears/configurationType.F90(36): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [OPENRSP_F]
use ls_openrsp_wrapper, only: openrsp_input_t
----^
/lus/theta-fs0/projects/catalyst/avazquez/soft/dalton/lsdalton/src/linears/configurationType.F90(152): error #6406: Conflicting attributes or multiple declaration of name. [OPENRSP_INPUT_T]
type(openrsp_input_t) ls_openrsp_input
--------^
/lus/theta-fs0/projects/catalyst/avazquez/soft/dalton/lsdalton/src/linears/configurationType.F90(36): error #6580: Name in only-list does not exist or is not accessible. [OPENRSP_INPUT_T]
use ls_openrsp_wrapper, only: openrsp_input_t
------------------------------^
compilation aborted for /lus/theta-fs0/projects/catalyst/avazquez/soft/dalton/lsdalton/src/linears/configurationType.F90 (code 1)
CMakeFiles/linearslib.dir/build.make:61: recipe for target 'CMakeFiles/linearslib.dir/src/linears/configurationType.F90.o' failed
make[3]: *** [CMakeFiles/linearslib.dir/src/linears/configurationType.F90.o] Error 1
CMakeFiles/linearslib.dir/build.make:77: recipe for target 'CMakeFiles/linearslib.dir/src/linears/configurationType.F90.o.provides' failed
make[2]: *** [CMakeFiles/linearslib.dir/src/linears/configurationType.F90.o.provides] Error 2
CMakeFiles/Makefile2:1546: recipe for target 'CMakeFiles/linearslib.dir/all' failed
make[1]: *** [CMakeFiles/linearslib.dir/all] Error 2
Makefile:160: recipe for target 'all' failed
make: *** [all] Error 2
Do you have any idea how to solve this?
Thanks
Alvaro