[DFTB-Plus-User] Issue with compilation of DFTBplus21.2 with xTB using Intel/2018 compiler

[Federico Hernandez]

Dear developers,
I had a problem compiling DFTB+21p2 with the xTB option turned on. The compilation details are:

WITH_OMP TRUE
WITH_TBLITE TRUE
WITH_ARPACK TRUE (The ARPACK library was compiled against the same Intel version)
WITH_API TRUE

The compiler is: Intel Parallel Studio XE Composer 2018.3-1

I get the error here:

[ 36%] Building Fortran object external/tblite/origin/CMakeFiles/tblite-lib.dir/src/tblite/xtb/h0.f90.o
[ 36%] Building Fortran object external/tblite/origin/CMakeFiles/tblite-lib.dir/src/tblite/xtb/calculator.f90.o
[ 36%] Building Fortran object external/tblite/origin/CMakeFiles/tblite-lib.dir/src/tblite/xtb/singlepoint.f90.o
[ 36%] Building Fortran object external/tblite/origin/CMakeFiles/tblite-lib.dir/src/tblite/xtb/ipea1.f90.o
[ 37%] Building Fortran object external/tblite/origin/CMakeFiles/tblite-lib.dir/src/tblite/xtb/gfn2.f90.o
[ 37%] Building Fortran object external/tblite/origin/CMakeFiles/tblite-lib.dir/src/tblite/xtb/gfn1.f90.o
/data/home/btx721/dftbplus/dftbplus-21.2/external/tblite/origin/src/tblite/xtb/gfn2.f90(1): catastrophic error: **Internal compiler error: internal abort** Please report this error along with the circumstances in which it occurred in a Software Problem Report.  Note: File and line given may not be explicit cause of this error.
compilation aborted for /data/home/btx721/dftbplus/dftbplus-21.2/external/tblite/origin/src/tblite/xtb/gfn2.f90 (code 1)
make[2]: *** [external/tblite/origin/CMakeFiles/tblite-lib.dir/src/tblite/xtb/gfn2.f90.o] Error 1
make[2]: *** Waiting for unfinished jobs....
make[1]: *** [external/tblite/origin/CMakeFiles/tblite-lib.dir/all] Error 2
make: *** [all] Error 2



any help with this will be much appreciated.
Best wishes
Federico

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