Yes. I am using "setvars.sh". I am specifying MPI variables only to make
sure that intel's MPI is used and not openMPI or mpich that are also
installed.
I have had issues with them when I tried to use separate compile a copy with them and also when I was trying to use a copy of nwchem I installed using conda. (see for example:
https://github.com/nwchemgit/nwchem/issues/463)
Without the LD_LIBRARY_PATH variable but with the MPI variables specified, I end up with following errors.(see for the make.log file attached in this email)
```
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `clck::fs::abspath(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&)'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `clck::find_cluster_definition(std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::shared_ptr<clck::ClusterDefinition>, std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > >, std::allocator<std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::shared_ptr<clck::ClusterDefinition> > > > const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `VTT for std::__cxx11::basic_stringstream<wchar_t, std::char_traits<wchar_t>, std::allocator<wchar_t> >@GLIBCXX_3.4.21'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `GetEvaluationError(void*)'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `clck::str::lower(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `clck::str::strip(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `clck::fs::file_exists(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&)'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::_M_create(unsigned long&, unsigned long)@GLIBCXX_3.4.21'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `operator delete(void*, unsigned long)@CXXABI_1.3.9'
/apps/intel/oneapi/clck/latest/lib/intel64/libutil.so: undefined reference to `EnvGetInstanceName(void*, void*)'
```
Vijay