Re: [Wien] Intels Oneapi 2024: Compiler bug ?
>From what I can see, ifx is not ready, too much is missing. I suggest sticking with ifoft. --- Professor Laurence Marks (Laurie) www.numis.northwestern.edu https://scholar.google.com/citations?user=zmHhI9gJ&hl=en "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi On Fri, Jan 26, 2024, 07:21 Jan Doumont wrote: > Dear Peter, > > Interestingly, I get the same error when using IFORT with the newest > oneapi... > > ifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback > -assume buffered_io -I/opt/intel/oneapi/mkl/2024.0/include > -DHAVE_PTR_ALLOC_GENERICS -Ilib -free -gen-interface nosource > -traceback -g -I../SRC_w2w/lib -I../SRC_w2w/lib -c modules.f > -olib/modules.o -module lib > ifort: remark #10448: Intel(R) Fortran Compiler Classic (ifort) is now > deprecated and will be discontinued late 2024. Intel recommends that > customers transition now to using the LLVM-based Intel(R) Fortran > Compiler (ifx) for continued Windows* and Linux* support, new language > support, new language features, and optimizations. Use > '-diag-disable=10448' to disable this message. > modules.f(195): error #6911: The syntax of this substring is invalid. > [CART] > inw%grid%len = (/ ( sqrt(sum( inw%grid%Cart(:,i)**2 )), i=1,3 ) /) > --^ > compilation aborted for modules.f (code 1) > make: *** [Makefile:140: lib/modules.o] Error 1 > > However, I found the following workaround works with both ifort and ifx > on oneapi 2024: > > do i=1,3 >inw%grid%len(i) = sqrt(sum(inw%grid%cart(:,i)**2 )) > end do > > i.e. to replace the implicit loop by an explicit one. > > BW > Jan Doumont > > On 25/01/2024 19:52, Jan Doumont wrote: > > Dear Peter, > > > > I could compile wien2k 23.2 with no issues using gfortran 13.2.1 (the > > version supplied with Fedora 39). I double checked the compile.msg of > > SRC_wplot and there are no errors. > > > > Best Wishes > > > > Jan Doumont > > > > > > > > On 25/01/2024 19:00, Peter Blaha wrote: > >> Dear users, > >> > >> Maybe there is a Fortran expert who knows if this syntax is correct > >> or not. > >> > >> A user reported recently a compilation problem using the most > >> recent ifort (or ifx, which will become soon the new fortran > >> compiler) (oneapi-2024.0) in SRC_wplot: > >> > >> ifx -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback > >> -assume buffered_io -I/home/aarav/intel/mkl/2024.0/include > >> -DHAVE_PTR_ALLOC_GENERICS -Ilib -free -gen-interface nosource > >> -traceback -g -I../SRC_w2w/lib -I../SRC_w2w/lib -c modules.f > >> -olib/modules.o -module lib > >> modules.f(195): error #6911: The syntax of this substring is invalid. > >> [CART] > >>inw%grid%len = (/( sqrt(sum( inw%grid%Cart(:,i)**2 )), i=1,3 )/) > >> -^ > >> > >> So the error is in line 195 of SRC_wplot/modules.f. > >> > >> It appear ONLY with the most recent oneapi 2024.0, not with older > >> versions nor with gfortran-12. > >> > >> Thus the question is: Is this a compiler bug or is this due to a very > >> new fortran-standard which this version enforces ? > >> Has anybody an even newer gfortran (higher than version 12) and can > >> test it with this compiler ? > >> > >> Best regards > >> Peter Blaha > > > > ___ > > Wien mailing list > > Wien@zeus.theochem.tuwien.ac.at > > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > SEARCH the MAILING-LIST at: > > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Intels Oneapi 2024: Compiler bug ?
Dear Peter, Interestingly, I get the same error when using IFORT with the newest oneapi... ifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/opt/intel/oneapi/mkl/2024.0/include -DHAVE_PTR_ALLOC_GENERICS -Ilib -free -gen-interface nosource -traceback -g -I../SRC_w2w/lib -I../SRC_w2w/lib -c modules.f -olib/modules.o -module lib ifort: remark #10448: Intel(R) Fortran Compiler Classic (ifort) is now deprecated and will be discontinued late 2024. Intel recommends that customers transition now to using the LLVM-based Intel(R) Fortran Compiler (ifx) for continued Windows* and Linux* support, new language support, new language features, and optimizations. Use '-diag-disable=10448' to disable this message. modules.f(195): error #6911: The syntax of this substring is invalid. [CART] inw%grid%len = (/ ( sqrt(sum( inw%grid%Cart(:,i)**2 )), i=1,3 ) /) --^ compilation aborted for modules.f (code 1) make: *** [Makefile:140: lib/modules.o] Error 1 However, I found the following workaround works with both ifort and ifx on oneapi 2024: do i=1,3 inw%grid%len(i) = sqrt(sum(inw%grid%cart(:,i)**2 )) end do i.e. to replace the implicit loop by an explicit one. BW Jan Doumont On 25/01/2024 19:52, Jan Doumont wrote: Dear Peter, I could compile wien2k 23.2 with no issues using gfortran 13.2.1 (the version supplied with Fedora 39). I double checked the compile.msg of SRC_wplot and there are no errors. Best Wishes Jan Doumont On 25/01/2024 19:00, Peter Blaha wrote: Dear users, Maybe there is a Fortran expert who knows if this syntax is correct or not. A user reported recently a compilation problem using the most recent ifort (or ifx, which will become soon the new fortran compiler) (oneapi-2024.0) in SRC_wplot: ifx -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/home/aarav/intel/mkl/2024.0/include -DHAVE_PTR_ALLOC_GENERICS -Ilib -free -gen-interface nosource -traceback -g -I../SRC_w2w/lib -I../SRC_w2w/lib -c modules.f -olib/modules.o -module lib modules.f(195): error #6911: The syntax of this substring is invalid. [CART] inw%grid%len = (/( sqrt(sum( inw%grid%Cart(:,i)**2 )), i=1,3 )/) -^ So the error is in line 195 of SRC_wplot/modules.f. It appear ONLY with the most recent oneapi 2024.0, not with older versions nor with gfortran-12. Thus the question is: Is this a compiler bug or is this due to a very new fortran-standard which this version enforces ? Has anybody an even newer gfortran (higher than version 12) and can test it with this compiler ? Best regards Peter Blaha ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Intels Oneapi 2024: Compiler bug ?
Dear Peter, I could compile wien2k 23.2 with no issues using gfortran 13.2.1 (the version supplied with Fedora 39). I double checked the compile.msg of SRC_wplot and there are no errors. Best Wishes Jan Doumont On 25/01/2024 19:00, Peter Blaha wrote: Dear users, Maybe there is a Fortran expert who knows if this syntax is correct or not. A user reported recently a compilation problem using the most recent ifort (or ifx, which will become soon the new fortran compiler) (oneapi-2024.0) in SRC_wplot: ifx -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/home/aarav/intel/mkl/2024.0/include -DHAVE_PTR_ALLOC_GENERICS -Ilib -free -gen-interface nosource -traceback -g -I../SRC_w2w/lib -I../SRC_w2w/lib -c modules.f -olib/modules.o -module lib modules.f(195): error #6911: The syntax of this substring is invalid. [CART] inw%grid%len = (/( sqrt(sum( inw%grid%Cart(:,i)**2 )), i=1,3 )/) -^ So the error is in line 195 of SRC_wplot/modules.f. It appear ONLY with the most recent oneapi 2024.0, not with older versions nor with gfortran-12. Thus the question is: Is this a compiler bug or is this due to a very new fortran-standard which this version enforces ? Has anybody an even newer gfortran (higher than version 12) and can test it with this compiler ? Best regards Peter Blaha ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Intels Oneapi 2024: Compiler bug ?
Dear users, Maybe there is a Fortran expert who knows if this syntax is correct or not. A user reported recently a compilation problem using the most recent ifort (or ifx, which will become soon the new fortran compiler) (oneapi-2024.0) in SRC_wplot: ifx -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/home/aarav/intel/mkl/2024.0/include -DHAVE_PTR_ALLOC_GENERICS -Ilib -free -gen-interface nosource -traceback -g -I../SRC_w2w/lib -I../SRC_w2w/lib -c modules.f -olib/modules.o -module lib modules.f(195): error #6911: The syntax of this substring is invalid. [CART] inw%grid%len = (/( sqrt(sum( inw%grid%Cart(:,i)**2 )), i=1,3 )/) -^ So the error is in line 195 of SRC_wplot/modules.f. It appear ONLY with the most recent oneapi 2024.0, not with older versions nor with gfortran-12. Thus the question is: Is this a compiler bug or is this due to a very new fortran-standard which this version enforces ? Has anybody an even newer gfortran (higher than version 12) and can test it with this compiler ? Best regards Peter Blaha -- -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 Email: peter.bl...@tuwien.ac.atWIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at - ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html