CP2K 5.1 / IC 2018 regtests

[Alfio Lazzaro]

Hi Drahomir,
well, I don't have a clear solution to your problem, therefore I can give 
you only some suggestions...
First of all, I've checked in the CP2K dashboard and there are not tests 
based on IC 2018. I see that you are using SOPT version. The corresponding 
test with IC 2017 on the dashboard is:

http://cp2k-www.epcc.ed.ac.uk/phi/sopt/regtest-0

(on top of the log you can find the arch file that is used in the test).
I see the the arch file is pretty similar to yours (note that you don't 
need -D__INTEL and OBJECTS_ARCHITECTURE = machine_intel.o anymore).
A first suggestion would be to use -O0 -g (and remove all other options) 
and see if the code runs.
It would be also interesting to run under gdb and see where it is crashing.

Alfio



Il giorno lunedì 4 dicembre 2017 15:19:37 UTC+1, drahomirko ha scritto:
>
>
> To follow up, I am getting same errors with the CP2K 4.1 that was working 
> correctly with IC 2017, so this issue I suspect is due to compiler. Any 
> ideas how to fix this?
>
> Thanx
>
> Drahomir
>
> On Monday, 4 December 2017 12:43:57 UTC, drahomirko wrote:
>>
>>
>> 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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