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
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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