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ifx 2025.3 cannot compile generate_wsc.f90 #1390

@chemsh

Description

@chemsh

** Describe the bug **

Intel ifx 2025.3.2 (IntelLLVM) crashes with an Internal Compiler Error (ICE) when compiling src/generate_wsc.f90 with OpenMP enabled (-fiopenmp):

[ 77%] Building Fortran object CMakeFiles/lib-xtb-static.dir/src/generate_wsc.f90.o
#0 0x000056218861fa41
#1 0x0000562188685f87
#2 0x00005621886860b5
#3 0x00007f430c540520
#4 0x000056218999a8e0
#5 0x0000562189995fc4
#6 0x0000562189962285
#7 0x0000562189962068
#8 0x0000562188f02361
#9 0x000056218774f468
#10 0x000056218774f1a1
#11 0x000056218779c397
#12 0x000056218779c151
#13 0x0000562187748d20
#14 0x00005621885bb43b
#15 0x00005621885b8c9f
#16 0x0000562188560d68
#17 0x00005621887473cf
#18 0x00007f430c527d90
#19 0x00007f430c527e40 __libc_start_main + 128
#20 0x000056218839823e

/home/jenkins/workspace/Py-ChemShell/PCS-features-intel-parallel/chemsh/interfaces/xtb/src/src/generate_wsc.f90: error #5633: Internal compiler error: segmentation violation signal raised 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.
ifx: error #10298: problem during post processing of parallel object compilation
compilation aborted for /home/jenkins/workspace/Py-ChemShell/PCS-features-intel-parallel/chemsh/interfaces/xtb/src/src/generate_wsc.f90 (code 3)
gmake[5]: *** [CMakeFiles/lib-xtb-static.dir/build.make:3287: CMakeFiles/lib-xtb-static.dir/src/generate_wsc.f90.o] Error 3

** To Reproduce **

$ ifx --version
$ ifx -fiopenmp -O3 -axAVX2 -r8 -traceback -DNDEBUG -c src/generate_wsc.f90 -Ibuild/include

This ICE occurs at any optimisation level (from -O3 to -O0). Either removing -fiopenmp or adding -qno-openmp can make it compile successfully:

** Expected behaviour **

src/generate_wsc.f90 should compile without ICE when OpenMP is enabled.

** Additional context **

We currently insert a line in CMakeLists.txt to make it compile:

set_source_files_properties(src/generate_wsc.f90 PROPERTIES COMPILE_FLAGS "-qno-openmp")

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