[CP2K-user] [CP2K:11555] Re: intel gnu toolchain fails

[Ron Cohen]

Thank you, but to be clear I am using gnu compilers, as called by the intel distribution, using the intel tool chain with GNU=1. I am properly sourcing the intel variable scripts and the correct compilers are being used. Still I get the reported error. Thanks,

Ron 

Sent from my iPhone

> On Apr 8, 2019, at 17:14, Mohammad Shakiba <mshakiba.... at gmail.com> wrote:
> 
> Dear Ronald,
> 
> I had problems with compiling CP2K with intel compilers too. I want to share my experience about compiling CP2K with intel. Some of them works properly and some not. The recommended versions are included in the following links:
> 
> https://www.cp2k.org/dev:compiler_support
> 
> https://xconfigure.readthedocs.io/en/latest/cp2k/
> 
> Use the links above which are good for compiling locally on clusters. First, you're gonna have to recompile libxsmm yourself in the $HOME directory (use the link in xconfigure and the rest). Then based on your CPU (type 'lscpu' to find out what kind of cpu you got, for example I have Xeon-E5-v4) you have to source to the intel compiler:
> 
> source /opt/intel/compilers_and_libraries_yourversion/linux/bin/compilervas.sh intel64
> 
> Always source to intel compiler like above before using CP2K. You can check that by typing for example 'mpirun --version'. Also, check if your CP2K version pass the regtests, for example it compiles with intel 17.0.1 but with wrong answers.
> 
> Hope you find it useful.
> 
> 
>> On Monday, April 8, 2019 at 6:27:05 PM UTC+4:30, Ronald Cohen wrote:
>> I am trying to use the intel gnu toolchain on my KNL cluster using GNU, and it always faiuls for every version of the intel suite I can find with the following:
>> 
>> 
>> make   ARCH=Linux-x86-64-intelx ELPAROOT=/home/rcohen/gnu/gcc6.3/  AVX=3 OMP=1 GNU=1 MKL=2 MIC=1 VERSION=psmp
>> 
>> to1: fatal error: multiple prevailing defs for ?libxsmm_gemm_auto_prefetch_default?
>> compilation terminated.
>> lto-wrapper: fatal error: gfortran returned 1 exit status
>> compilation terminated.
>> /usr/bin/ld: error: lto-wrapper failed
>> collect2: error: ld returned 1 exit status
>> /home/rcohen/CP2K/cp2k/obj/Linux-x86-64-intelx/psmp/all.dep:86: recipe for target '/home/rcohen/CP2K/cp2k/exe/Linux-x86-64-intelx/graph.psmp' failed
>> make[3]: *** [/home/rcohen/CP2K/cp2k/exe/Linux-x86-64-intelx/graph.psmp] Error 1
>> make[3]: *** Waiting for unfinished jobs....
>> 
>> 
>> I cannot find a fix for the "multiple prevaiing ..." or that anyone else has reported it. Any help is appreciated.
>> 
>> The gnu toolchain built find, but without elpa or mkl. I was trying to add in elpa and mkl.
>> 
>> Ron Cohen
>> 
>> 
> 
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