cp2k revision 17894 compile fatal error

Patrick Seewald patrick... at gmail.com
Thu Jul 20 16:29:12 UTC 2017


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compiler, so I'd recommend to use a newer version of the compiler.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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