CP2K 6.1 compile

Yingchun Zhang zhangyin... at 126.com
Mon Jun 25 13:30:35 UTC 2018

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 

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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