cp2k revision 17894 compile fatal error

zhj... at gmail.com zhj... at gmail.com
Fri Jul 21 11:06:47 UTC 2017

Thanks for your reply, Patrick
I will have a try!


在 2017年7月21日星期五 UTC+8上午12:29:12,Patrick Seewald写道:
> I'm the author of dbcsr_tensor_test module but it is far from obvious to 
> me what may have caused this failure (especially since it is a bug in the 
> compiler, not in the code). Apparently, the bug has been fixed in the intel 
> compiler, so I'd recommend to use a newer version of the compiler.
> As a quick and dirty solution, you could remove the two files
> dbcsr_tensor/dbcsr_tensor_test.F
> dbcsr_tensor/dbcsr_tensor_unittest.F
> and CP2K will probably compile fine even with the 2015 version of the 
> intel compiler, since these 2 files are compiled into a separate executable 
> and not part of CP2K executable.
> I'm sorry for not having seen this post sooner.
> Am Dienstag, 9. Mai 2017 10:29:15 UTC+2 schrieb zhj... at gmail.com:
>> Dear CP2K Developers and Users,
>> When I compile cp2k revision 17894 by using 
>> *parallel_studio_xe_2015_update2* and *parallel_studio_xe_2016_update4*, 
>> there was a fatal error:
>> *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.*
>> *compilation aborted for dbcsr_tensor_test.F90 (code 1)make[3]: *** 
>> [dbcsr_tensor_test.o] Error 1make[3]: *** Waiting for unfinished 
>> jobs....make[2]: *** [all] Error 2make[1]: *** [popt] Error 2make: *** 
>> [all] Error 2*
>> But when I use *parallel_studio_xe_2017_update3* instead, this error was 
>> gone, but the MKL lib have some errors. Using cp2k compiled by 
>> *parallel_studio_xe_2017_update3*, the energy can not converge.
>> The compiled version is *Linux-x86-64-intel-host.popt*. 
>> I will upload some files about compiled.
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