search

aoterodelaroza / critic2

Analysis of quantum chemical interactions in molecules and solids.
Other
97 stars 35 forks source link

Compiler Check error in crystalmod #41

Closed ecbrown closed 3 years ago

ecbrown commented 3 years ago

While debugging the previous issue, I turned on full checking on the ifort compiler. This was caught:

cd /home/ecbrown/src/critic2/build-intel/src && /opt/intel/oneapi/compiler/2021.1.2/linux/bin/intel64/ifort -DHAVE_READLINE -I/home/ecbrown/src/critic2/build-intel/src/cubpack -I/home/ecbrown/src/critic2/src/qhull -O3 -check all -traceback -qopenmp -c /home/ecbrown/src/critic2/src/crystalmod@proc.f90 -o CMakeFiles/critic2.dir/crystalmod@proc.f90.o ifort: warning #10182: disabling optimization; runtime debug checks enabled /home/ecbrown/src/critic2/src/crystalmod@proc.f90(2609): 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 /home/ecbrown/src/critic2/src/crystalmod@proc.f90 (code 1)

That line has:

x = matmul(c%atcel(j)%x-t,transpose(x0inv)) + xlat(:,i)

I wonder if ifort is getting upset by the dimensionality of arguments to matmul.

aoterodelaroza commented 3 years ago

Which ifort version is this? Oh, I see, 2021.

aoterodelaroza commented 3 years ago

It's difficult to say with ICEs... the error may be there or it may be somewhere else. ifort is particularly bad with those because there is nothing seemingly wrong with that statement. This is also probably a regression because last I tried with the 2019 version, it compiled without problems. I'd say the best course of action is what it says on the note: report it to the intel developers.

ecbrown commented 3 years ago

Will do. Thanks for the feedback.