Re: [Wien] Intels Oneapi 2024: Compiler bug ?

2024-01-26 Thread Peter Blaha
Yes, ifx cannot be used at the moment. It is very limited by now and produces many errors during compilation. It is a bit worrying, since ifort (2024) gives an info that it will be disabled next year Most of the time I tried -O3 it did: not significantly improve timing (sometimes it

Re: [Wien] Intels Oneapi 2024: Compiler bug ?

2024-01-26 Thread Laurence Marks
I have rarely seen -O3 help, I only use -O2 You may want to use -xHost, if you have only one type of cpu. Safer. -- Professor Laurence Marks (Laurie) Northwestern University www.numis.northwestern.edu https://scholar.google.com/citations?user=zmHhI9gJ=en "Research is to see what everybody

Re: [Wien] Intels Oneapi 2024: Compiler bug ?

2024-01-26 Thread Michael Fechtelkord via Wien
Hello all, I tried also to use ifx .. it works for elpa, mpich, fftw and libxc, but the compilation of WIEN2k has too many errors. With the classic compiler ifort the compilation works fine and also the workaround for SRC_wplot does resolve the compilation error. Elpa recommends flags for

Re: [Wien] Intels Oneapi 2024: Compiler bug ?

2024-01-25 Thread Laurence Marks
>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=en "Research is to see what everybody else has seen, and to think what nobody else

Re: [Wien] Intels Oneapi 2024: Compiler bug ?

2024-01-25 Thread Jan Doumont
Dear Peter, Interestingly, I get the same error when using IFORT with the newest oneapi... ifortĀ  -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_GENERICSĀ  -Ilib -free -gen-interface nosource

Re: [Wien] Intels Oneapi 2024: Compiler bug ?

2024-01-25 Thread Jan Doumont
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

[Wien] Intels Oneapi 2024: Compiler bug ?

2024-01-25 Thread Peter Blaha
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