CP2K 5.1 / IC 2018 regtests

drahomirko draho... at gmail.com
Mon Dec 4 12:43:57 UTC 2017


Sirs,

I am trying to compile CP2K 5.1 with IC/MKL 2018u1. Compilation runs 
alright, however I am getting number errors and runtime fails during 
regtesting.  The errors are (perhaps) due to compiler as they read:

Error in 
`/calcs/cp2k-5.1/regtesting/Linux-x86-64-intel/sopt/../../..//exe/Linux-x86-64-intel/cp2k.sopt': 
corrupted double-linked list: 0x000000000c9c43d0 ***

*** Error in 
`/calcs/cp2k-5.1/regtesting/Linux-x86-64-intel/sopt/../../..//exe/Linux-x86-64-intel/cp2k.sopt': 
double free or corruption (fasttop): 0x000000000c7db370 ***

*** Error in 
`/calcs/cp2k-5.1/regtesting/Linux-x86-64-intel/sopt/../../..//exe/Linux-x86-64-intel/cp2k.sopt': 
free(): corrupted unsorted chunks: 

followed by memory backtrace and runtime fail afterwards. 


I am only compiling basic functionality *sopt version at the time to get 
the compiler settings right.  The makefile I am attaching was working fine 
with CP2K 4.1 / IC 2017u4

Suggestions are very welcome!

Thank you.

Drahomir


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