CP2K 6.1 compile

Alfio Lazzaro alfio.... at gmail.com
Mon Jun 25 18:47:19 UTC 2018

I'm not sure what you are doing... In principle what you see is a compile 
Indeed, Intel 17.0.1 is buggy 
(see https://www.cp2k.org/dev:compiler_support)

Please make sure to run CP2K regtests to check that everything is working.


Il giorno lunedì 25 giugno 2018 15:30:35 UTC+2, Yingchun Zhang ha scritto:
> I would like to share with the community about the compilation of CP2K 
> version 6.1, in case someone else encountered the same problem.
> The latest version included NVIDIA P100 kernels for DBCSR, a file named 
> dbcsr_mm_cannon.f90 in the cp2k-6.1/src/dbcsr/mm dir might realte to this 
> functionality. 
> However, when intel complier version 17.0.1 were used, I cannot compile 
> this code, 
>    catastrophic error: **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.
> In line 2000 of dbcsr_mm_cannon.F file, dbcsr_mm_cannon.f90 was needed, 
> which casued the error message above.
> In order to compile this version successfully, I replaced 
> dbcsr_mm_cannon.F with the same file from version 5.1. The compilation 
> ended correctly.  
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