OpenBLAS not working with cp2k?
alfio.... at gmail.com
Thu Nov 9 10:07:00 UTC 2017
we test CP2K against OpenBLAS in our regtests (see
by using the CP2K toolchain.
In particular, I see that we are using openblas-0.2.20 (same as you). I see
in the toolchain script that we use
make -j $nprocs \
CC=$(basename $CC) \
I would suggest to try directly the toolchain and see if it works on your
Il giorno giovedì 9 novembre 2017 00:47:26 UTC+1, sassy ha scritto:
> Dear all
> I am puzzled: I found a very strange behaviour when I am trying to build
> both the latest release and the previous 4.x one, with OpenBLAS. Compiling
> linking is all working fine but when I am running the regtests they almost
> crash with this error message:
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> Backtrace for this error:
> #0 0x63d08d in ???
> #1 0x63c72d in ???
> #2 0x6b97ef in ???
> at /build/glibc-p3Km7c/glibc-2.24/nptl/../sysdeps/unix/sysv/linux/
> #3 0x0 in ???
> EXIT CODE: 139 MEANING: RUNTIME FAIL
> Thus, I was using an older ATLAS build to narrow down the problem and loo
> behold, now the regtests are working. I am currently trying out the ssmp
> as that is for my desktop machine and I reasoned that threading might be
> better there than MPI.
> Incidentally, the same problem happens when I am using the 4.x version and
> OpenMPI. I am using OpenBLAS-0.2.20.
> Has somebody noticed that before or am I doing something completely wrong
> two different clusters?
> I am using gfortran-6.3.0 for the ssmp build just in case that might be a
> problem and OpenBLAS was build like that:
> $ make DYNAMIC_ARCH=1 USE_THREAD=0
> For ATLAS I am using the serial build as well. I am using the provided
> x86-64-gfortran-ssmp makefile, obviously changed the paths to reflect my
> environment and removed the -static flag.
> Please let me know if you need more information but I find that strange.
> All the best from a cold London
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